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[ CAS No. 87-88-7 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 87-88-7
Chemical Structure| 87-88-7
Chemical Structure| 87-88-7
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Quality Control of [ 87-88-7 ]

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Product Details of [ 87-88-7 ]

CAS No. :87-88-7 MDL No. :MFCD00001596
Formula : C6H2Cl2O4 Boiling Point : -
Linear Structure Formula :- InChI Key :IPPWILKGXFOXHO-UHFFFAOYSA-N
M.W : 208.98 Pubchem ID :66604
Synonyms :

Calculated chemistry of [ 87-88-7 ]

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 41.03
TPSA : 74.6 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -6.57 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.85
Log Po/w (XLOGP3) : 1.42
Log Po/w (WLOGP) : 1.16
Log Po/w (MLOGP) : -1.27
Log Po/w (SILICOS-IT) : 1.23
Consensus Log Po/w : 0.68

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.85

Water Solubility

Log S (ESOL) : -2.03
Solubility : 1.95 mg/ml ; 0.00933 mol/l
Class : Soluble
Log S (Ali) : -2.59
Solubility : 0.536 mg/ml ; 0.00256 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.35
Solubility : 9.25 mg/ml ; 0.0443 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 2.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.94

Safety of [ 87-88-7 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 87-88-7 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 87-88-7 ]

[ 87-88-7 ] Synthesis Path-Downstream   1~88

  • 1
  • [ 87-88-7 ]
  • 4,8-dichloro-benzo[1,2-<i>d</i>;4,5-<i>d</i>']bis[1,3,2]dioxaborole [ No CAS ]
YieldReaction ConditionsOperation in experiment
45% With borane-THF In tetrahydrofuran at 20℃; for 12h;
  • 2
  • [ 87-88-7 ]
  • [ 564480-29-1 ]
  • C6H2Cl2O4*C9H6N2S4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
65% In dimethyl sulfoxide; acetonitrile at 20℃;
  • 3
  • [ 12126-50-0 ]
  • [ 87-88-7 ]
  • [ 7732-18-5 ]
  • [ 262427-13-4 ]
  • 4
  • Iron(III) nitrate nonahydrate [ No CAS ]
  • [ 12126-50-0 ]
  • [ 87-88-7 ]
  • [ 493029-44-0 ]
  • 5
  • hexaaquairon(III) perchlorate [ No CAS ]
  • [ 4199-89-7 ]
  • [ 87-88-7 ]
  • Fe2(C6Cl2O4)(ClC12H7N2)4(4+)*4ClO4(1-)=[Fe2(C6Cl2O4)(ClC12H7N2)4](ClO4)4 [ No CAS ]
  • 6
  • [ 87-88-7 ]
  • [ 123-03-5 ]
  • bis(hexadecylpyridinium) bis(3,6-dichloro-4,5-dihydroxy-3,5-cyclohexadiene-1,2-dionato-κ(2)O(4),O(5))beryllium [ No CAS ]
  • 7
  • [ 67-56-1 ]
  • iron(II) tetrafluoroborate hexahydrate [ No CAS ]
  • [ 87-88-7 ]
  • [ 16858-01-8 ]
  • [(tris(2-pyridylmethyl)amine)(OH)FeOFe(OH)(tris(2-pyridylmethyl)amine)][Fe(chloranilato)3]0.5(BF4)0.5*1.5MeOH*H2O [ No CAS ]
  • 8
  • [ 67-56-1 ]
  • [ 15684-35-2 ]
  • [ 87-88-7 ]
  • [ 16858-01-8 ]
  • [(tris(2-pyridylmethyl)amine)Co(II)(chloranilic acid(2-))Co(II)(tris(2-pyridylmethyl)amine)](BF4)2*2MeOH [ No CAS ]
  • 9
  • [ 67-56-1 ]
  • iron(II) tetrafluoroborate hexahydrate [ No CAS ]
  • [ 87-88-7 ]
  • [ 16858-01-8 ]
  • [(tris(2-pyridylmethyl)amine)Fe(II)(chloranilic acid(2-))Fe(II)(tris(2-pyridylmethyl)amine)](BF4)2*2MeOH [ No CAS ]
  • 10
  • bis[dichloro(pentamethylcyclopentadienyl)iridium(III)] [ No CAS ]
  • [ 87-88-7 ]
  • [ 1050443-03-2 ]
YieldReaction ConditionsOperation in experiment
81% With CH3ONa In methanol (N2); ligand added to a soln. of CH3ONa, stirred for 1 h, Ir complex added at room temp., stirred for 6 h; solvent-removed, extd. (CH2Cl2), concd., Et2O added; elem. anal.;
  • 11
  • [ 52462-29-0 ]
  • [ 87-88-7 ]
  • [ 1052687-67-8 ]
YieldReaction ConditionsOperation in experiment
85% With CH3ONa In methanol under N2; chloranilic acid added to soln. of CH3ONa in MeOH; stirred for1 h; Ru complex added at room temp.; stirred for 6 h; solvent removed; washed with H2O; elem. anal.;
74% In methanol a mixt. of Ru-complex and benzoquinone-compound was suspd. in methanol and stirred for 2 h at room temp.; ppt. was filtered, washed with diethyl ether, dried in vac.; elem. anal.;
  • 12
  • dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer [ No CAS ]
  • [ 87-88-7 ]
  • [ 1064317-65-2 ]
YieldReaction ConditionsOperation in experiment
87% With CH3ONa In methanol under N2; chloranilic acid added to soln. of CH3ONa in MeOH; stirred for1 h; Rh complex added at room temp.; stirred for 6 h; solvent removed; washed with H2O; elem. anal.;
  • 13
  • [ 17455-13-9 ]
  • [ 87-88-7 ]
  • [(18C6)(CLA)2] [ No CAS ]
YieldReaction ConditionsOperation in experiment
In chloroform at 20℃; for 1h; 2.2. Synthesis of 18-crown-6 CT complexes General procedure: The solid CT complexes of 18-crown-6 with p-CHL, o-CHL, DDQ, TCNQ, DCQ, DBQ, CLA, NBS, and PA were prepared by mixing 1mM of the 18C6 as a donor in chloroform (30 mL) for all complexes except for (DCQ and DBQ in methanol) with 1mMof each acceptor. The mixture was stirred at room temperature for 1 h, where solid complexes were obtained. The complexes were filtered off, washed with chloroform, and dried under vacuum.
  • 14
  • [ 87-88-7 ]
  • [ 119-93-7 ]
  • 2,2'-[(3,3'-dimethylbiphenyl-4,4'-diyl)bis(aminohydroxy)]bis(3,6-dichloro-5-hydroxy-benzo-1,4-quinone) [ No CAS ]
YieldReaction ConditionsOperation in experiment
In methanol at 20℃; for 0.75h; 2.1. Synthesis of o-TOL/PA and o-TOL/CA charge-transfer complexes The two solid CT-complexes of o-TOL with PA or CA were prepared by mixing a saturated solution of the o-TOL donor in 10 ml MeOHto each of saturated solutions of PA or CA in the same solvent with continuously stirring for about 45 min at room temperature. The solutions were allowed to evaporate slowly at room temperature, the resulted complexes in the solid state filtered and washed several times with little amounts of solvent, and dried under vacuum over anhydrous calcium chloride. Charge-transfer complexes of o-TOL/PA formed with empirical formula C26H22N8O14 with molecular weight 670.5 g/mol and o-TOL/CA formed with empirical formula C26H20N2Cl4O8 with molecular weight 630.3 g/mol.
  • 15
  • [ 87-88-7 ]
  • [ 579-56-6 ]
  • C6H4Cl2O4(1-)*C18H23NO3(1+) [ No CAS ]
  • 16
  • [ 87-88-7 ]
  • [ 54965-21-8 ]
  • C6H2Cl2O4*C12H15N3O2S [ No CAS ]
  • 17
  • tin (IV) chloride pentahydrate [ No CAS ]
  • calcium(II) nitrate tetrahydrate [ No CAS ]
  • [ 87-88-7 ]
  • [ 429-06-1 ]
  • (Et4N)2[SnCa(chloranilate)4]*H2O [ No CAS ]
  • 18
  • [ 87-88-7 ]
  • [ 84057-84-1 ]
  • C6H2Cl2O4*C9H7Cl2N5 [ No CAS ]
  • 19
  • [ 87-88-7 ]
  • [ 90729-43-4 ]
  • C6H2Cl2O4(1-)*C32H39NO2(1+) [ No CAS ]
  • 20
  • [ 1558-17-4 ]
  • [ 87-88-7 ]
  • [ 1250412-47-5 ]
  • 21
  • [ 141-86-6 ]
  • [ 87-88-7 ]
  • 3C5H7N3*2C6H2Cl2O4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
In acetonitrile at 20℃; 2.3 Synthesis of the solid CT-complex The solid CT-complex between 2,6-DAP and CLA was prepared by mixing equimolar amounts of 2,6-DAP and CLA in acetonitrile. The resulting complex solution was allowed to evaporate slowly at room temperature where the complex was isolated as dark pink crystals. The isolated complex was filtered, washed well with acetonitrile and dried over calcium chloride for 24 h. Analytical thin-layer chromatography (TLC) was performed on aluminum sheets protected with silica gel (Merck, Kieselgel 60F-254).Visualization was accomplished by UV light. Both the analytical and spectroscopic data confirmed ≥ 95% purity of the prepared compound. Anal. Calc. for [(2,6-DAP)3(CLA)2] C27H25N9Cl4O8 Complex: C, 43.48%; H, 3.36%; N, 16.91%. Found: C, 43.28%; H, 3.62%; N, 16.98%. MP > 380 ОC.
  • 22
  • [ 141-86-6 ]
  • [ 87-88-7 ]
  • 2C5H7N3*2C6H2Cl2O4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
In acetonitrile at 20℃; 2.3 Synthesis of the solid CT-complex The solid CT-complex between 2,6-DAP and CLA was prepared by mixing equimolar amounts of 2,6-DAP and CLA in acetonitrile. The resulting complex solution was allowed to evaporate slowly at room temperature where the complex was isolated as dark pink crystals. The isolated complex was filtered, washed well with acetonitrile and dried over calcium chloride for 24 h. Analytical thin-layer chromatography (TLC) was performed on aluminum sheets protected with silica gel (Merck, Kieselgel 60F-254).Visualization was accomplished by UV light. Both the analytical and spectroscopic data confirmed ≥ 95% purity of the prepared compound.
  • 23
  • [ 142-08-5 ]
  • [ 87-88-7 ]
  • [ 1438160-60-1 ]
YieldReaction ConditionsOperation in experiment
78.84% In ethanol at 20℃; 2.2 2.2.2. [(H2PyO)(HCA)] (2) 2.2.2 [(H2PyO)(HCA)] (2) To a solution of HPyO (95.2 mg 1.0 mmol) in EtOH (20 mL), a solution of H2CA (211.0 mg, 1.01 mmol) in EtOH (30 mL) was added at room temperature. The formed violet precipitate was filtered off, washed with the same solvent (3 * 1/2 mL) and dried in vacuo overnight over CaCl2. Yield: 240.0 mg (78.84%). Anal. found (Calcd. for C11H7Cl2NO5, 304.08): C, 43.67 (43.45); H, 2.44 (2.32); N, 4.69 (4.61); Cl, 22.99 (23.32).
  • 24
  • [ 54-96-6 ]
  • [ 87-88-7 ]
  • C5H7N3*C6H2Cl2O4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
In ethanol Preparation of the solid 1:1 complexes 2,3-DAP-CHA and 2,3-DAPDHBQ The solid CT-complexes (1:1) between 2,3-DAP and CHA and between 2,3-DAP and DHBQ were prepared by mixing equimolar amounts of 2,3-DAP with CHA and 2,3-DAP with DHBQ in EtOH.The resulting complexes solutions were allowed to evaporate slowly at room temperature where the complexes were isolated as reddish purple and reddish-brown crystals for 2,3-DAP-CHA and 2,3-DAP-DHBQ complexes respectively. The separated complexes were filtered off, washed well with EtOH and dried over calcium chloride for 24 h.
In methanol at 20℃;
  • 25
  • [ 87-88-7 ]
  • [ 1643-19-2 ]
  • [ 7705-08-0 ]
  • [(n-Bu)4N]3[Fe(Cl2An)3] [ No CAS ]
YieldReaction ConditionsOperation in experiment
80% With sodium hydroxide In water at 60℃; for 0.5h;
  • 26
  • 2,2'-(azanediylbis(ethane-2,1-diyl))bis(1H-benzo[de]isoquinoline-1,3(2H)-dione) [ No CAS ]
  • [ 87-88-7 ]
  • C28H21N3O4*C6H2Cl2O4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
In chloroform at 20℃; for 0.5h; Synthesis of CT complexes General procedure: An chloroformic solution of L1 or L2 (1 mmol) was stirred with an chloroformic solution of each acceptor (PA, CLA, TCNQ or DDQ) (1 mmol) for ca. 30 min on a magnetic stirrer at room temperature. Then the solution was reduced to one-half by evaporation on a water bath. All the complexes were prepared by the same method and isolated as powdered material. The formed complexes were isolated as yellow, violet, dark yellow, reddish-brown, olive green and reddish-brown powder for L1-PA, L1-CLA, L2-PA, L2-CLA, L2- TCNQ and L2-DDQ complexes, respectively. The solid products were filtered off and washed thoroughly with pure-grade chloroform. Then, the products were collected and dried in vacuo for 48 h.
  • 27
  • [ 87-88-7 ]
  • [ 339531-80-5 ]
  • C28H19Cl2N3O4*C6H2Cl2O4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
In chloroform at 20℃; for 0.5h; Synthesis of CT complexes General procedure: An chloroformic solution of L1 or L2 (1 mmol) was stirred with an chloroformic solution of each acceptor (PA, CLA, TCNQ or DDQ) (1 mmol) for ca. 30 min on a magnetic stirrer at room temperature. Then the solution was reduced to one-half by evaporation on a water bath. All the complexes were prepared by the same method and isolated as powdered material. The formed complexes were isolated as yellow, violet, dark yellow, reddish-brown, olive green and reddish-brown powder for L1-PA, L1-CLA, L2-PA, L2-CLA, L2- TCNQ and L2-DDQ complexes, respectively. The solid products were filtered off and washed thoroughly with pure-grade chloroform. Then, the products were collected and dried in vacuo for 48 h.
  • 28
  • [ 87-88-7 ]
  • [ 124937-52-6 ]
  • C22H31NO*C4H6O6*C6H2Cl2O4 [ No CAS ]
  • 29
  • crizotinib [ No CAS ]
  • [ 87-88-7 ]
  • C21H22Cl2FN5O*2C6H2Cl2O4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
In acetonitrile at 25℃; for 0.166667h;
In methanol at 25℃; for 0.0833333h; 2.4 General analytical procedure General procedure: Aliquots (100µL) of the standard or sample solution containing different amounts of CZT (1-60, 4-1000 and 10-1000µgmL-1 for assays using iodine, CHBQ and TCNQ, respectively) were precisely measured and transmitted into of 96-microwell assay plates wells. One hundred microliters of iodine (0.02%, w/v), CHBQ (0.4%, w/v) and TCNQ (0.5%, w/v) were separately added. The reactions were allowed to proceed for 5min at room temperature (25±2°C) for iodine and CHBQ, and 15min at 25±2°C for TCNQ. The resulting solutions’ absorbances were measured by the microwell-plate reader at 292, 515 and 842nm for assays using iodine, CHBQ and TCNQ, respectively. Similarly, blank wells were handled except 100µL of solvent was accurately measured in place of sample, and the blank wells’ absorbances were deducted from those of the other wells. The guidelines of the International Conference on Harmonization (ICH) for validation of analytical procedures were adopted to validate the proposed assays.
  • 30
  • [ 4704-94-3 ]
  • [ 87-88-7 ]
  • 2,5-dichloro-3,6-dihydroxybenzo-1,4-quinone-2-(hydroxymethyl)propane-1,3-diol [ No CAS ]
  • 31
  • [ 87-88-7 ]
  • [ 274901-16-5 ]
  • C23H25Cl2N3O6 [ No CAS ]
  • 32
  • [ 87-88-7 ]
  • [ 23978-09-8 ]
  • C18H36N2O6*2C6H2Cl2O4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
In methanol; at 20℃; for 1h; General procedure: Two mmol of each donor (20 ml) was added to 20 ml of methanolic solutions containing CLA or PA (2 mmol) and stirred at room temperature for 1 h. Strong change in colors was observed upon mixing solutions of the donors with the acceptors. These changes in colors represent strong evidence of the CT interactions between the donors and the acceptors. The volume of the solution was reduced to one-half by evaporation on a water bath. The resulting solutions were allowed to stand at room temperature.The formed complexes were isolated, filtered off and washed twice thoroughly with the minimum given solvent to obtain the pure products. The complexes were then collected and dried in vacuofor 48 h. The four title complexes were characterized by spectroscopy(UV-vis., IR, Raman and 1H NMR), elemental and thermal analyses.
  • 33
  • [ 87-88-7 ]
  • [ 31249-95-3 ]
  • C10H22N2O3*2C6H2Cl2O4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
In methanol; at 20℃; for 1h; General procedure: Two mmol of each donor (20 ml) was added to 20 ml of methanolic solutions containing CLA or PA (2 mmol) and stirred at room temperature for 1 h. Strong change in colors was observed upon mixing solutions of the donors with the acceptors. These changes in colors represent strong evidence of the CT interactions between the donors and the acceptors. The volume of the solution was reduced to one-half by evaporation on a water bath. The resulting solutions were allowed to stand at room temperature.The formed complexes were isolated, filtered off and washed twice thoroughly with the minimum given solvent to obtain the pure products. The complexes were then collected and dried in vacuofor 48 h. The four title complexes were characterized by spectroscopy(UV-vis., IR, Raman and 1H NMR), elemental and thermal analyses.
  • 34
  • [ 14285-68-8 ]
  • [ 87-88-7 ]
  • 1,4-bis((2-(thiophen-2-yl)benzimidazol-1-yl)methyl)benzene [ No CAS ]
  • [(CO)3Re(μ-CA)(μ-(1,4-bis(2-(2-thiophen-yl)benzimidazol-1-ylmethyl)benzene))Re(CO)3] [ No CAS ]
YieldReaction ConditionsOperation in experiment
65% In 1,3,5-trimethyl-benzene; at 160℃; for 48.0h;High pressure; General procedure: A mixture <strong>[14285-68-8]Re2(CO)10</strong>, flexible ditopic N-donors L1/L2/L3/L4 and H2-dhnq/H2-CA/H2-THBQ in mesitylene in a Teflon flask was placed in a steel bomb. The bomb was placed in an oven maintained at 160C for 48h and then cooled to 25C. The resulting products were separated by filtration, washed with distilled mesitylene and hexane and air-dried.
  • 35
  • [ 14285-68-8 ]
  • [ 87-88-7 ]
  • 1,4-bis(2-(2-thiophen-yl)benzimidazol-1-ylmethyl)-2,5-dimethoxybenzene [ No CAS ]
  • [(CO)3Re(μ-CA)(μ-(1,4-bis(2-(2-thiophen-yl)benzimidazol-1-ylmethyl)-2,5-dimethoxybenzene))Re(CO)3] [ No CAS ]
YieldReaction ConditionsOperation in experiment
71% In 1,3,5-trimethyl-benzene; at 160℃; for 48.0h;High pressure; General procedure: A mixture <strong>[14285-68-8]Re2(CO)10</strong>, flexible ditopic N-donors L1/L2/L3/L4 and H2-dhnq/H2-CA/H2-THBQ in mesitylene in a Teflon flask was placed in a steel bomb. The bomb was placed in an oven maintained at 160C for 48h and then cooled to 25C. The resulting products were separated by filtration, washed with distilled mesitylene and hexane and air-dried.
  • 36
  • [ 14285-68-8 ]
  • [ 87-88-7 ]
  • 1,4-bis(2-(2-furan-yl)benzimidazol-1-ylmethyl)benzene [ No CAS ]
  • [(CO)3Re(μ-CA)(μ-(1,4-bis(2-(2-furan-yl)benzimidazol-1-ylmethyl)benzene))Re(CO)3] [ No CAS ]
YieldReaction ConditionsOperation in experiment
80% In 1,3,5-trimethyl-benzene; at 160℃; for 48.0h;High pressure; General procedure: A mixture <strong>[14285-68-8]Re2(CO)10</strong>, flexible ditopic N-donors L1/L2/L3/L4 and H2-dhnq/H2-CA/H2-THBQ in mesitylene in a Teflon flask was placed in a steel bomb. The bomb was placed in an oven maintained at 160C for 48h and then cooled to 25C. The resulting products were separated by filtration, washed with distilled mesitylene and hexane and air-dried.
  • 37
  • [ 14285-68-8 ]
  • [ 87-88-7 ]
  • 1,4-bis(2-(2-furan-yl)benzimidazol-1-ylmethyl)-2,5-dimethoxybenzene [ No CAS ]
  • [(CO)3Re(μ-CA)(μ-(1,4-bis(2-(2-furan-yl)benzimidazol-1-ylmethyl)-2,5-dimethoxybenzene))Re(CO)3] [ No CAS ]
YieldReaction ConditionsOperation in experiment
83% In 1,3,5-trimethyl-benzene; at 160℃; for 48.0h;High pressure; General procedure: A mixture <strong>[14285-68-8]Re2(CO)10</strong>, flexible ditopic N-donors L1/L2/L3/L4 and H2-dhnq/H2-CA/H2-THBQ in mesitylene in a Teflon flask was placed in a steel bomb. The bomb was placed in an oven maintained at 160C for 48h and then cooled to 25C. The resulting products were separated by filtration, washed with distilled mesitylene and hexane and air-dried.
  • 38
  • [ 87-88-7 ]
  • [ 64485-93-4 ]
  • C16H16N5O7S2(1-)*Na(1+)*C6H2Cl2O4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
In methanol; at 20℃; for 2h; General procedure: The solid [(CFX)2I]·I3 (I), [(HCFX)(PA)] (II), [(HCFX)(HCA)] (III), [(CFX-H)(HDDQ)] (IV), and [(CFX-H)(HTCNQ)] (V) complexes were prepared by adding a methanolic solution (20.0 mL) of the acceptors (1.00 mmol) to a methanolic solution (10.0 mL) of the donor CFX (1.00 mmol). The resultant dark brown, scarlet yellow, dark violet, dark red and dark green solutions of complexes I-V, respectively, were stirred for about 2 h at room temperature then left overnight to separate the solid complexes. The precipitated complexes were filtrated off, washed with MeOH (3 × 0.5 mL) and dried in vacuo over CaCl2.
  • 39
  • [ 87-88-7 ]
  • iron(III) chloride hexahydrate [ No CAS ]
  • [ 10052-47-8 ]
  • [ 68-12-2 ]
  • [ 1310-73-2 ]
  • C18Cl6FeO12(3-)*2Na(1+)*C3H7NO*C7H18N(1+) [ No CAS ]
  • 40
  • [ 87-88-7 ]
  • [ 630-93-3 ]
  • [phenytoin sodium][2,5-dichloro-3,6-dihydroxy-1,4-benzoquinone] [ No CAS ]
  • 41
  • [ 87-88-7 ]
  • [ 57-24-9 ]
  • C21H22N2O2*C6H2Cl2O4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
In methanol; chloroform at 20℃; for 0.5h; Preparation of the salts General procedure: A simple synthetic protocol has been used for the preparation ofPT complexes of Sy donor. A typical procedure for the preparation isbriefly described as follows. First, 2 mmol of Sy in chloroform(20 ml) was added to 20 ml of a solution containing 2 mmol of theacceptor (either PA, DNBA or CLA) in the methanol solvent. Theresulting mixture was stirred at room temperature for approximatelyhalf an hour, where the resulting precipitation were isolatedas yellow canary, white and reddish-brown powder for SyePA,SyeDNBA and SyeCLA salts, respectively. The formed productswere isolated, filtered and further purified using methanolchloroformsolvent and a recrystallization process to obtain thepure products. The products were then collected and dried in vacuofor 48 h. The products were characterized by spectroscopy (UVeVis,IR, 1H and 13C NMR) as well as elemental and thermal analyses. Theexcellent agreement between the experimental and calculatedvalues of C, H and N indicates that the obtained products are free ofimpurities. The stoichiometry of the Sy interaction with the acceptorswas found to have a 1:1 ratio.
  • 42
  • [ 87-88-7 ]
  • [ 186826-86-8 ]
  • C6H2Cl2O4*C21H24FN3O4*ClH [ No CAS ]
YieldReaction ConditionsOperation in experiment
In methanol; at 20℃; for 0.5h; General procedure: A simple synthetic protocol was used for the preparationof nanostructured complexes of MOX. A typicalprocedure for the preparation is briefly described asfollows. First, 2 mmol of MOX in a methanol solvent(20 mL) was added to 20 mL of a solution containing2 mmol of the acceptor (either PA, CLA or CHL) in the same solvent. The resulting mixture was stirred at roomtemperature for approximately half an hour. A change incolor occurred, and the solution was allowed to evaporateslowly at room temperature, resulting in the precipitationof the solid complexes. The precipitates were isolated,filtered and further purified using the same system and arecrystallization process to obtain the pure product. Theproducts were then collected and dried in vacuo for 48 h.The excellent agreement between the experimental andcalculated values of C, H and N indicated that thesynthesized nanoparticles were free of impurities. Thestoichiometry of the interaction between the drug MOXand the acceptors was found to have a 1:1 ratio.
  • 43
  • [ 87-88-7 ]
  • [ 1069-66-5 ]
  • C6H2Cl2O4*C8H15O2(1-) [ No CAS ]
YieldReaction ConditionsOperation in experiment
In methanol; acetone;UV-irradiation; Method I: aliquots (300-1800muL) of VP stock standard solution (800mug/mL) were transferred into a series of 10-mL volumetric flasks. Volumes were adjusted to 2mL with methanol and 0.6mL of p-CA solution was added. The volume was completed with acetone and the absorbance was measured at 524nm against reagent blank.
  • 44
  • [ 87-88-7 ]
  • [ 1662-01-7 ]
  • bathophenanthroline [ No CAS ]
YieldReaction ConditionsOperation in experiment
In methanol; dichloromethane at 20℃; for 0.5h; Preparation of the CT products General procedure: A simple synthetic protocol that was used for the preparation of CTcomplexes of Bath donor is briefly described as follows. First, 2 mmolof Bath donor in a 1:1 MeOH/CH2Cl2 mixture (20 mL) was added to 20 mL of a solution containing 2 mmol of the acceptor (either PA,DNBA or CLA) in the same solvent mixture. The resulting mixture wasstirred at room temperature for approximately 0.5 h, where theresulting precipitation were isolated as shiny yellow, pale yellow, andviolet crystals for Bath-PA, Bath-DNBA, and Bath-CLA products, respectively.The formed products were isolated, filtered, and further purifiedusing solventmixture and a recrystallization process to obtain the pureproducts. The products were then collected and dried in vacuo for 48 h.The products were characterized by spectroscopy (UV-Vis, IR, 1H NMR,and 13C NMR) as well as elemental analysis. The excellent agreementbetween the experimental and calculated values of C, H, and N indicatesthat the obtained productswere free of impurities. The stoichiometry ofthe Bath interaction with the acceptors was found to have a 1:1 ratio.
  • 45
  • [ 578-68-7 ]
  • [ 87-88-7 ]
  • C9H8N2*C6H2Cl2O4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
In methanol; The solid complex of 4AQ with CLA was synthesized by mixing of 5 ml saturated solutions of both 4AQ (0.144 g, 1 mmol) and CLA (0.209 g, 1 mmol) in methanol. A pink color solution was obtainedupon mixing that changed to pink precipitate. The precipitate was filtered off and washed several times with little portions of methanol to remove the free donor and acceptor molecules. The precipitate was dried under vacuum over CaCl2. The complex thus obtained was characterized by elemental analysis (theoretical values are shown in parenthesis): [(donor) (acceptor)], (C15H10N2O4Cl2)HBCT complex (M/W: 353.18 g): C, 50.81 (50.97); H, 2.43 (2.83);N, 7.38 (7.93).
  • 46
  • [ 582-60-5 ]
  • [ 87-88-7 ]
  • C9H10N2*C6H2Cl2O4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
In methanol at 20℃; for 7h; 2.2. Synthesis of solid CT complex The novel CT complex of DMBI with ChA was synthesized by mixing saturated solution of DMBI (0.731 g, 5mmol) in methanol with saturated solution of ChA (1.045 g, 5 mmol) in methanol. Purple colored solution formed upon mixing. The solution mixture was stirred continuously for7 h and left standing overnight at room temperature. Purple colored fibers of CT complex were formed in solution. The fibers were filtered off, washed several times with small amounts of methanol and dried over anhydrous calcium chloride. The solubility of CT complex differs as compared to reactants. The results of elemental analysis of CT complex with theoretical values (in bracket) are: C15H12N2O4Cl2 (M.W. 355.17 g,m.p.=252 °C): C, 50.73% (51.13%): H, 3.40% (3.54%): N, 15.77% (15.98%).
  • 47
  • [ 61-90-5 ]
  • [ 87-88-7 ]
  • C6H13NO2*C6H2Cl2O4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
83% In water; acetone at 50℃; 2. Experimental L-leucine, D-leucine and chloranilic acid were obtained from theAldrich Chemical Co. They were used in syntheses of the complexeswithout any further treatments. The title materials were synthesizedby reacting L-leucine and D-leucine with chloranilic acid takenin equimolar ratio. The given amounts of L-leucine and D-leucinewere first dissolved in double distilled water. To these solutionsequimolar amounts of chloranilic acid dissolved in acetone wereadded by simultaneous slow instilling of their solutions. Theresulting solutions were stirred well for about 2e3 h at 50 C untilhomogeneous solutions were formed. The solutions were filteredoff and kept undisturbed at ambient temperature. After few weekscrystalline materials were collected and recrystallized usingmixture of double distilled water and ethanol (1:4 mixtures) toimprove the purity of the material since high quality crystal arerequired. L-leucine e chloranilic acid: dark brown crystal, mp.219.0 C (decomp.) fromwater e ethanol (1:4) mixture, Yield: 83%,Anal. Calc. for C12H15Cl2NO6 (340.16): C, 42.33; H, 4.41; N, 4.12;Found: C, 42.34, H, 4.61, N, 4.02%.
  • 48
  • [ 328-38-1 ]
  • [ 87-88-7 ]
  • C6H13NO2*C6H2Cl2O4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
83% In water; acetone at 50℃; 2. Experimental General procedure: L-leucine, D-leucine and chloranilic acid were obtained from theAldrich Chemical Co. They were used in syntheses of the complexeswithout any further treatments. The title materials were synthesizedby reacting L-leucine and D-leucine with chloranilic acid takenin equimolar ratio. The given amounts of L-leucine and D-leucinewere first dissolved in double distilled water. To these solutionsequimolar amounts of chloranilic acid dissolved in acetone wereadded by simultaneous slow instilling of their solutions. Theresulting solutions were stirred well for about 2e3 h at 50 C untilhomogeneous solutions were formed. The solutions were filteredoff and kept undisturbed at ambient temperature. After few weekscrystalline materials were collected and recrystallized usingmixture of double distilled water and ethanol (1:4 mixtures) toimprove the purity of the material since high quality crystal arerequired. D-leucine e chloranilic acid: darkbrown crystal, mp. 219.0 C (decomp.) from water e ethanol (1:4)mixture, Yield: 83%, Anal. Calc. for C12H15Cl2NO6 (340.16): C, 42.33;H, 4.41; N, 4.12; Found: C, 42.38, H, 4.57, N, 4.08%.
  • 49
  • [ 87-88-7 ]
  • [ 123373-51-3 ]
  • C10H8N4*C6H2Cl2O4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
In methanol The solid HBCT complex of DAQC with CAwas synthesized by mixing of 5 ml saturated solutions of bothDAQC (0.184 g, 1 mmol) and CA (0.209 g, 1 mmol) in methanol. Apink color solution was obtained upon mixing that changed to pinkprecipitate. The precipitate was filtered off and washed severaltimes with little portions of methanol to remove the free donor andacceptor molecules. The precipitate was dried under vacuum overCaCl2. The complex thus obtained was characterized by elementalanalyses (theoretical values are shown in parenthesis): [(donor)(acceptor)], (C15H10N2O4Cl2) HBCT complex (M/W: 353.18 g): C,48.44 (48.85); H, 2.14 (2.54); N, 13.98 (14.25).
  • 50
  • [ 87-88-7 ]
  • [ 6156-78-1 ]
  • [ 16858-01-8 ]
  • C30H18Cl4MnN4O8(2-)*CH4O [ No CAS ]
YieldReaction ConditionsOperation in experiment
38% A solution of Mn(O2CMe)24H2O (64.0 mg; 0.262 mmol) dissolvedin 15 mL of methanol was added to a solution of TPyA(100 mg, 0.344 mmol) dissolved in 7 mL of methanol in a 100 mLround bottom flask. To the resulting pale-pink solution was addedof chloranilic acid (36.0 mg; 0.172 mmol) dissolved in 10 mL ofmethanol resulting in a dark purple solution and formation of adark precipitate. To the mixture was added 0.05 mL (0.344 mmol)triethylamine and was then refluxed for 30 min. After filtrationwhile hot, the dark purple solution was allowed to stand for 3 daysupon which dark red crystals formed. The crystals were collectedand washed with 5 mL of methanol and allowed to dry in air(Yield: 79 mg, 38%). Key IR (cm-1; KBr): 1604 m, 1557 s, 1494 s,1434 m, 1377 m, 1356 m, 1017 m, 992 m, 865 m, 840 m, 765 m,578 m.
  • 51
  • [ 87-88-7 ]
  • [ 14667-55-1 ]
  • C7H10N2*C6H2Cl2O4 [ No CAS ]
  • 52
  • [ 87-88-7 ]
  • C34H49Cl4Ir3N4 [ No CAS ]
  • [ 2923-28-6 ]
  • C72H98Ir6N8O8(4+)*4CF3O3S(1-) [ No CAS ]
YieldReaction ConditionsOperation in experiment
86% Stage #1: C34H49Cl4Ir3N4; silver trifluoromethanesulfonate In methanol at 20℃; for 3h; Darkness; Stage #2: 3,6-dichloro-2,5-dihydroxy-1,4-benzoquinone With sodium methylate In methanol for 12h;
  • 53
  • [ 87-88-7 ]
  • [ 59-43-8 ]
  • C12H17N4OS(1+)*Cl(1-)*C6H2Cl2O4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
80.1% In methanol; at 25℃; for 1h; Solid [(HVB1)(HCA)] complexwas prepared by adding a saturated solution ofchloranilic acid (106.0 mg, 0.51 mmol) in MeOH (30 mL)to a concentrated solution of <strong>[59-43-8]thiamine hydrochloride</strong>(168.6 mg, 0.50 mmol) in MeOH (10 mL) and stirring for 1 h. The formed violet precipitate was filtered off,washed with the least amount (3×0.5 mL) of MeOHand dried under vacuum over CaCl2. Yield 80.1%. Found, %: C 42.33; H 3.85; Cl 20.73; N 10.87; S 6.26.C18H19Cl3N4O5S. Calculated, %: C 42.41; H 3.76; Cl20.86; N 10.99; S 6.29.
  • 54
  • [ 87-88-7 ]
  • [ 35100-92-6 ]
  • C6H2Cl2O4*C5H9N3 [ No CAS ]
  • 55
  • [ 87-88-7 ]
  • [ 357-57-3 ]
  • C23H26N2O4(1+)*C6H2Cl2O4(1-) [ No CAS ]
YieldReaction ConditionsOperation in experiment
In acetonitrile at 25℃; for 2h; 2.2. Synthesis of Bru-CT complexes General procedure: Bru-ChA, Bru-DDQ and Bru-TCNQ complexes of reddish and violetcolors were prepared by mixing 1 mmol (1.1 g) of Bru with 1 mmol acceptorcorresponding to 0.21 g, 0.23 or 0.21 g of ChA, DDQ and TCNQ respectively,in 25 ml of acetonitrile. The compositions of CT wereobtained with ChA or DDQ at 25 °C for 2 h while with TCNQ was obtainedat 70 °C. The products were then filtered, washed with a lowervolume of acetonitrile and dried under vacuum with anhydrous CaCl2.The melting points of Bru-ChA, Bru-DDQ and Bru-TCNQ were 240 °C,194 °C and 204 °C, respectively and that of Bruwas 185 °C. The resultingcomplexes were investigated by FTIR, NMR and MS spectrometry.
  • 56
  • [ 57-44-3 ]
  • [ 87-88-7 ]
  • C8H12N2O3*C6H2Cl2O4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
In methanol at 60℃; for 0.75h; 2.2. CT product synthesis General procedure: The CT products obtained fromthe reaction of Barwith the acceptorsCLA (Product 1), CHL (Product 2), TCNQ (Product 3), and DBQ (Product4) were prepared by heating 25-mL solutions containing 2 mmol of theacceptor inmethanol solvent for 15 min at 60 °C. Then, this solutionwasadded slowly to a magnetically stirred 25-mL solution that contained2mmol of Bar also dissolved inmethanol solvent. The magnetic stirringwas run continuously for 45min. After that, awater bathwas employedto reduce the solution volume by one-half, and then the solution wasleft standing for 24 h at roomtemperature to precipitate the final product.All the precipitates were isolated, filtered off, rinsed well with thesame solvent, and vacuumdried using CaCl2 (anhydrous) for 60 h. Product1, Product 2, Product 3, and Product 4 are colored light reddishorange,light yellow, light green, and dark red, respectively. The CTproducts were characterized spectroscopically (IR, Raman and 1HNMR), thermally, and by elemental analysis.
  • 57
  • lanthanum(III) nitrate hexahydrate [ No CAS ]
  • [ 87-88-7 ]
  • [ 56-34-8 ]
  • [ 7732-18-5 ]
  • (tetraethylammonium)[La(chloranilate)2(H2O)] [ No CAS ]
YieldReaction ConditionsOperation in experiment
46% In N,N-dimethyl-formamide; at 130℃; for 16h; General procedure: The lanthanide nitrate hexahydrate (0.114mmol), Et4NCl(246mg, 1.49mmol), and chloranilic acid(47.5 mg, 0.227mmol)were dissolved in a mixture of DMF (10.0 mL) and water(0.338mL) in vials to yield a purple-red suspension. The vialswere shaken until all the solid was suspended, then placed inan oven at 1308C for 16 h to yield purple square-shaped crystals.The crystals were washed with DMF (2 5 mL) before beingallowed to dry in air.(Et4N)[La(can)2(H2O)](1). Yield 37.0mg, 46 %. nmax (attenuated total reflectance (ATR))/cm1 1680 (nC-O), 1662 (nC-O), 1373 (nC-C). Anal. Calc. for C20H21Cl4LaNO91.53C3H7NO: C36.33, H 4.06, N 4.56; found: C 36.33, H 3.764, N 4.93 %
  • 58
  • cerium(III) nitrate hexahydrate [ No CAS ]
  • [ 87-88-7 ]
  • [ 56-34-8 ]
  • [ 7732-18-5 ]
  • (tetraethylammonium)[Ce(chloranilate)2(H2O)] [ No CAS ]
YieldReaction ConditionsOperation in experiment
45% In N,N-dimethyl-formamide; at 130℃; for 16h; General procedure: The lanthanide nitrate hexahydrate (0.114mmol), Et4NCl(246mg, 1.49mmol), and chloranilic acid(47.5 mg, 0.227mmol)were dissolved in a mixture of DMF (10.0 mL) and water(0.338mL) in vials to yield a purple-red suspension. The vialswere shaken until all the solid was suspended, then placed inan oven at 1308C for 16 h to yield purple square-shaped crystals.The crystals were washed with DMF (2 5 mL) before being allowed to dry in air
  • 59
  • neodymium(III) nitrate hexahydrate [ No CAS ]
  • [ 87-88-7 ]
  • [ 56-34-8 ]
  • [ 7732-18-5 ]
  • (tetraethylammonium)[Nd(chloranilate)2(H2O)] [ No CAS ]
YieldReaction ConditionsOperation in experiment
41% In N,N-dimethyl-formamide; at 130℃; for 16h; General procedure: The lanthanide nitrate hexahydrate (0.114mmol), Et4NCl(246mg, 1.49mmol), and chloranilic acid(47.5 mg, 0.227mmol)were dissolved in a mixture of DMF (10.0 mL) and water(0.338mL) in vials to yield a purple-red suspension. The vialswere shaken until all the solid was suspended, then placed inan oven at 1308C for 16 h to yield purple square-shaped crystals.The crystals were washed with DMF (2 5 mL) before being allowed to dry in air
  • 60
  • samarium(III) nitrate hexahydrate [ No CAS ]
  • [ 87-88-7 ]
  • [ 56-34-8 ]
  • (tetraethylammonium)[Sm(chloranilate)2] [ No CAS ]
YieldReaction ConditionsOperation in experiment
38% In water; N,N-dimethyl-formamide; at 130℃; for 16h; General procedure: The lanthanide nitrate hexahydrate (0.114mmol), Et4NCl(246mg, 1.49mmol), and chloranilic acid(47.5 mg, 0.227mmol)were dissolved in a mixture of DMF (10.0 mL) and water(0.338mL) in vials to yield a purple-red suspension. The vialswere shaken until all the solid was suspended, then placed inan oven at 1308C for 16 h to yield purple square-shaped crystals.The crystals were washed with DMF (2 5 mL) before being allowed to dry in air
  • 61
  • europium(III) nitrate hexahydrate [ No CAS ]
  • [ 87-88-7 ]
  • [ 56-34-8 ]
  • (tetraethylammonium)[Eu(chloranilate)2] [ No CAS ]
YieldReaction ConditionsOperation in experiment
83% In water; N,N-dimethyl-formamide; at 130℃; for 16h; General procedure: The lanthanide nitrate hexahydrate (0.114mmol), Et4NCl(246mg, 1.49mmol), and chloranilic acid(47.5 mg, 0.227mmol)were dissolved in a mixture of DMF (10.0 mL) and water(0.338mL) in vials to yield a purple-red suspension. The vialswere shaken until all the solid was suspended, then placed inan oven at 1308C for 16 h to yield purple square-shaped crystals.The crystals were washed with DMF (2 5 mL) before being allowed to dry in air
  • 62
  • [ 87-88-7 ]
  • [ 77-86-1 ]
  • C4H11NO3*C6H2Cl2O4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
86% In ethanol at 80℃; for 2h; 2.3. Synthesis of THAM-CLA complexes General procedure: Ethanolic solutions (25 mL) of CLA (1.045 g, 5 mmol) and THAM(1.211 g, 10 mmol)]in case of complex I (1:2 mol ratio) and CLA(1.045 g, 5 mmol) and THAM (0.605 g, 5 mmol)] in case of complex II(1:1 mol ratio) were mixed and refluxed at 80 °C for 2 h. The solutionswere allowed to evaporate slowly at room temperature andthe isolated crystals were filtered off, washed several times withEtOH followed by diethyl ether and dried over anhydrous CaCl2 in avacuum desiccator for 24 h. The same complexes were also isolatedby using methanol or acetonitrile as solvents. [(CLA)(THAM)2],I, (%yield is 95.5, m. p. is 200 °C and Calcd for C14H24Cl2N2O10 (451.25):C, 37.23; H, 5.32; N, 6.20. Found: C, 37.20; H, 5.02; N, 6.00).[(CLA)(THAM)]2. H2O, II, (%yield is 86.0, m. p. is 220 °C and Calcd forC20H28Cl4N2O15 (678.24): C, 35.39; H, 4.13; N, 4.13. Found: C, 35.24;H, 4.32; N, 4.21).
  • 63
  • [ 87-88-7 ]
  • [ 77-86-1 ]
  • 2C4H11NO3*C6H2Cl2O4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
95.5% In ethanol at 80℃; for 2h; 2.3. Synthesis of THAM-CLA complexes General procedure: Ethanolic solutions (25 mL) of CLA (1.045 g, 5 mmol) and THAM(1.211 g, 10 mmol)]in case of complex I (1:2 mol ratio) and CLA(1.045 g, 5 mmol) and THAM (0.605 g, 5 mmol)] in case of complex II(1:1 mol ratio) were mixed and refluxed at 80 °C for 2 h. The solutionswere allowed to evaporate slowly at room temperature andthe isolated crystals were filtered off, washed several times withEtOH followed by diethyl ether and dried over anhydrous CaCl2 in avacuum desiccator for 24 h. The same complexes were also isolatedby using methanol or acetonitrile as solvents. [(CLA)(THAM)2],I, (%yield is 95.5, m. p. is 200 °C and Calcd for C14H24Cl2N2O10 (451.25):C, 37.23; H, 5.32; N, 6.20. Found: C, 37.20; H, 5.02; N, 6.00).[(CLA)(THAM)]2. H2O, II, (%yield is 86.0, m. p. is 220 °C and Calcd forC20H28Cl4N2O15 (678.24): C, 35.39; H, 4.13; N, 4.13. Found: C, 35.24;H, 4.32; N, 4.21).
  • 64
  • [ 87-88-7 ]
  • [ 752934-25-1 ]
  • C10H16N6S*C6H2Cl2O4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
In methanol at 25℃; for 1.5h; 2.4 Syntheses of the solid complexes General procedure: The solid CT complexes were prepared as follows. Methanolic solution of CIM (1mmol, 10mL) was added to 20mL of methanolic solutions containing acceptors (2mmol) and stirred at room temperature for 1.5h. During this period, a change in color was observed and considered as strong evidence for the CT interaction between donor and acceptors. The volume of the reaction mixture was reduced to 50% of its volume gradually by slow evaporation on a water bath and then left at room temperature overnight. The precipitated solids were filtered, washed several times with methanol, and dried under vaccum over anhydrous calcium chloride.
  • 65
  • [ 87-88-7 ]
  • [VO(4,4′-di-tert-butyl-2,2′-bipyridyl)(H2O)Cl2] [ No CAS ]
  • [di(oxidovanadium(IV)(4,4'-di-tert-butyl-2,2'-bipyridyl)Cl)(chloranilate)] [ No CAS ]
YieldReaction ConditionsOperation in experiment
79% With triethylamine In acetonitrile for 10h; Heating; H2Ca (37 mg, 177 μmol) was dissolved in CH3CN (20 mL). Triethylamine Et3N (50 μL, 354 μmol) was added to the obtained solution, after which the color of the solution changed from orange to crimson. This solution was mixed with a solution containing the [VO(Dbbpy)(H2O)Cl2] complex (150 mg, 354 μmol) in CH3CN (10 mL). After mixing, the solution turned brown. The solution was stirred for 10 h, and a weakly colored solution witha brown-green precipitate was formed. The precipitate was filtered off and washed with CH3CN and Et2O.The yield was 132 mg (79 %). For C42H48N4O6Cl4V2 Anal. calcd., % C, 53.3 N, 5.9 H, 5.1 Found, % C, 53.3 N, 5.6 H, 5.6 IR (KBr; ν, cm-1): 3446 w, 3085 w, 2903 w, 2875 w, 1616 s, 1544 vs, 1487 w, 1406 s, 1373 s, 1306 m, 1288 m, 1249 m, 1202 w, 1119 w, 1037 m, 977 vs, 899 m, 852 s, 750 w, 740 w, 721 w, 624 w, 607 m, 575 w, 557 w, 487 m.
  • 66
  • [ 87-88-7 ]
  • [ 2246-46-0 ]
  • C9H7N3O2S*2C6H2Cl2O4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
at 20℃; for 4h; 2.2. Preparation and separation of solid [(TAR)(3,5-DNSA)2], [(TAR)(PA)2]and [(TAR)(CLA)2] solid molecular complexes General procedure: The H-bonded 1:2 molecular complex of 4-(2-thiazolylazo) resorcinol(TAR) with 3,5-dinitrosalicylic acid (3,5-DNSA), picric acid (PA),and chloranilic acid (CLA) were synthesized by mixing saturated solutionof one equivalent of TAR with saturated two equivalent solutionof 3,5-DNSA, PA and CLA separately. Three separatemix solution stirredfor about 4 h and left overnight at roomtemperature. Dark red colouredprecipitation observed in the resultant solution. These solutions werefiltered off with Whatman 42 grade filter paper and were washedwith the least volume of methanol to remove any unreacted reagent. Finallythe collected complexes dried for 24 h. Prepared complexes wereidentified by standard spectroscopic techniques (FT-IR, UV-Vis, 1HNMR) and by elemental analysis (theoretically predicted values areshown in brackets) [(TAR)(3,5-DNSA)2], colour dark red (M/W:677.48 g); C, 40.52% (40.78%) H, 2.20 (2.23%) N, 14.49% (14.47%);[(TAR)(PA)2] dark red (M/W: 679.44 g); C, 37.34% (37.12%) H, 1.89%(1.93%) N, 18.48% (18.55%); [(TAR)(CLA)2] dark red (M/W: 639.2 g);C, 39.45% (39.46%) H, 1.73% (1.73%) N, 6.55% (6.57%).
  • 67
  • [ 280-57-9 ]
  • [ 87-88-7 ]
  • C6H2Cl2O4*2H2O*2C6H12N2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
With water In dichloromethane Heating; Preparation of [(HDABCO)2(CLA)]*2H2O (3) A solution of 2,5-dichloro-3,6-dihydroxy-1,4-benzoquinone (0.020g, 0.093mmol) and DABCO (0.021g, 0.186mmol) in 10mL of CH2Cl2/H2O (10 mL/30μL) was heated to dissolution of the reactants. After filtration, the solution was left at room temperature for slow evaporation of the solvent mixture, providing translucent pink crystals with rectangular prism habit suitable for single-crystal X-ray diffraction analysis. IR (ATR): =3440 (w), 2989 (w), 2809 (w), 2663 (w), 1629 (w), 1515 (s), 1483 (m), 1455 (m), 1376 (w), 1323 (w), 1179 (w), 1053 (s), 981 (w), 828 (s), 786 (w), 610 (m), 596 (m), 573 (m)cm-1. Elemental analysis: Calcd. for C18H30Cl2N4O6 (469.36): C, 46.06; H, 6.44; N, 11.94. Found: C, 45.49; H, 6.25; N, 12.03.
  • 68
  • [ 280-57-9 ]
  • [ 87-88-7 ]
  • 2C6H2Cl2O4*2H2O*C6H12N2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
With water; sodium hydroxide In acetone Heating; Preparation of [(H2DABCO)(HCLA)2]*2H2O (5) To a solution of 2,5-dichloro-3,6-dihydroxy-1,4-benzoquinone (0.020g, 0.095mmol) in 10mL of acetone were added DABCO (0.007g, 0.063mmol) and NaOH (0.003g, 0.063mmol). After heating to achieve complete dissolution of the reagents and filtration, the solution was left at room temperature for slow evaporation of the solvent, providing translucent dark brown crystals with rectangular prism habit suitable for single-crystal X-ray diffraction analysis. IR (ATR): =3445 (w), 2956 (m), 2926 (m), 2871 (w), 1725 (s), 1680 (w), 1629 (w), 1577 (w), 1525 (w), 1464 (m), 1378 (w), 1347 (w), 1267 (s), 1120 (m), 1072 (w), 978 (m), 837 (m), 775 (w), 741 (w), 703 (w), 564 (m)cm-1. Elemental analysis: Calcd. for C18H20Cl4N2O10 (566.17): C, 38.19; H, 3.56; N, 4.95. Found: C, 38.18; H, 3.22; N, 5.30.
  • 69
  • [ 87-88-7 ]
  • iron(II) sulfate nonahydrate [ No CAS ]
  • [ 7732-18-5 ]
  • [Fe(chloranilate)(H2O)2]H2O}n [ No CAS ]
YieldReaction ConditionsOperation in experiment
93% for 168h; Heating; [Fe(CA)(H2O)2]H2O}n 83.5mg of chloranilic acid (0.4mmol) were dissolved in 60mL of warm deionized water and then combined with a solution of 111mg of FeSO4·9H2O (0.4mmol) in 20mL of warm deionized water. Immediately after mixing, dark crystals began to form. After one week crystals were filtered off, washed with water and dried in air. Yield: 93%.
  • 70
  • manganese(II) sulfate tetrahydrate [ No CAS ]
  • [ 87-88-7 ]
  • [ 7732-18-5 ]
  • [Mn(chloranilate)(H2O)2]H2O}n [ No CAS ]
YieldReaction ConditionsOperation in experiment
60% for 168h; Heating; [Fe(CA)(H2O)2]H2O}n General procedure: 83.5mg of chloranilic acid (0.4mmol) were dissolved in 60mL of warm deionized water and then combined with a solution of 111mg of FeSO4·9H2O (0.4mmol) in 20mL of warm deionized water. Immediately after mixing, dark crystals began to form. After one week crystals were filtered off, washed with water and dried in air. Yield: 93%.
  • 71
  • [ 290-37-9 ]
  • [ 87-88-7 ]
  • iron(II) sulfate nonahydrate [ No CAS ]
  • [Fe(chloranilate)(pyrazine)]n [ No CAS ]
YieldReaction ConditionsOperation in experiment
70% Stage #1: 1,4-pyrazine; iron(II) sulfate nonahydrate In methanol Reflux; Stage #2: 3,6-dichloro-2,5-dihydroxy-1,4-benzoquinone In water at 20℃; for 168h; [Fe(CA)(Pyz)]n For the synthesis of this MOF, 346mg of FeSO4·9H2O (1,24mmol) was added to a refluxing methanol solution (15mL) containing 100mg of pyrazine (1.24mmol). The red-orange iron(II)-pyrazine complex which precipitated was redissolved by adding 1.5mL of water to the mixture. An aqueous solution of chloranilic acid (260mg, 1.24mmol) in water was added to the mix and allowed to cool down to room temperature. After one week the black precipitate was filtered, washed with water and dried in air. Yield: 70%.
  • 72
  • [ 290-37-9 ]
  • manganese(II) sulfate tetrahydrate [ No CAS ]
  • [ 87-88-7 ]
  • [Mn(chloranilate)(pyrazine)]n [ No CAS ]
YieldReaction ConditionsOperation in experiment
50% Stage #1: 1,4-pyrazine; manganese(II) sulfate tetrahydrate In methanol Reflux; Stage #2: 3,6-dichloro-2,5-dihydroxy-1,4-benzoquinone In water at 20℃; for 168h; [Fe(CA)(Pyz)]n General procedure: For the synthesis of this MOF, 346mg of FeSO4·9H2O (1,24mmol) was added to a refluxing methanol solution (15mL) containing 100mg of pyrazine (1.24mmol). The red-orange iron(II)-pyrazine complex which precipitated was redissolved by adding 1.5mL of water to the mixture. An aqueous solution of chloranilic acid (260mg, 1.24mmol) in water was added to the mix and allowed to cool down to room temperature. After one week the black precipitate was filtered, washed with water and dried in air. Yield: 70%.
  • 73
  • [ 288-13-1 ]
  • [ 87-88-7 ]
  • bis(pyrazolium) dichloroanilate [ No CAS ]
YieldReaction ConditionsOperation in experiment
In ethanol at 20℃; 2.3. Preparation of CT complex The isolated charge transfer complex obtained through the mixingof 5 mmol saturated ethanoic solution of PYR (1 M), i.e., 0.6808 g andChA (1 M), i.e., 2.0895 g. The mixture of donor and acceptor was stirredat room temperature for 40-50 min to form crystalline charge transfer(CT) complex. The obtained material was filtered using Whatmann: 41grade filter paper and dried under vacuum.
  • 74
  • [ 87-88-7 ]
  • [ 738-70-5 ]
  • C14H18N4O3*C6H2Cl2O4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
In dichloromethane at 20℃; 2.2. Synthetic method General procedure: The PT and CT complexes of TMP with iodine, CHL, CLA, and PA were synthesized by: i) Dissolving 1 mmol of the donor (TMP) in 20 mL MeOH solvent (in 25 mL CH 2 Cl 2 solvent for the interaction with iodine) with low heat until completely dissolved. ii) Slowly adding the acceptor (I 2 , CHL, CLA, or PA) in equimolar amounts to the solution with the donor. iii) Stirring the resultant mixture for 15 -20 minutes, then letting the mixture sit overnight at room temperature to allow for complete precipitation. iv) Isolating the resultant colored precipitates by filtration using Whatman 42 grade filter paper. v) Washing the precipitates several times with the appropriate solvent (MeOH or CH 2 Cl 2 ), followed by recrystallization in the appropriate solvent to increase the purity of the product. vi) Drying the recrystallized products in a vacuum using CaCl 2 (an- hydrous).
  • 75
  • [ 14285-68-8 ]
  • [ 87-88-7 ]
  • [ 3411-48-1 ]
  • C72H42Cl2O12P2Re2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
33% In 1,3,5-trimethyl-benzene; at 160℃; for 48.0h;High pressure; <strong>[14285-68-8]Re2(CO)10</strong> (100.1 mg, 0.1534 mmol), H2-DHBQ (21.9 mg, 0.1563 mmol), Np3P (127.1 mg, 0.3081 mmol), and mesitylene (10 mL) were taken in a Teflon vessel which was kept in a steel bomb. The bomb was kept in an oven at 160C for 48 h and cooled to room temperature. The obtained dark red powder of 1 was filtered, washed with hexane and air-dried. Yield: 31% (73.6 mg). ESI(HR-MS) Calcd for C72H44O12P2Re2.[M+H]+:m/z 1535.1473. Found: m/z 1535.1450. 1H NMR (400 MHz, DMSO-d6): δ 8.79 (d, J = 8.4 Hz, 6H, H4), 8.22 (d, J = 8 Hz, 6H, H5), 8.10 (d, J = 8.4 Hz, 6H, H8), 7.62 (t, J = 7 Hz, 6H, H7), 7.54 (t, J = J = 7.2 Hz, 6H, H3),7.46 (t, J = 7.6 Hz, 6H, H6), 7.16 -7.11 (m, 6H, H2), 5.80 (s, 2H, ArH).The 31P{1H} NMR (400 MHz, DMSO-d6): δ 38.44 (s); (ATR-IR cm-1): fac-[Re(CO)3]: 2012 (s), 1884 (s) and DHBQ2-: at 1521(s).
  • 76
  • [ 54-96-6 ]
  • [ 87-88-7 ]
  • 2C5H7N3*C6H2Cl2O4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
In methanol for 2h; 2.3. Synthesis of solid complexes General procedure: The solid complexes of AMFP with the studied acceptors were synthesizedby adding acceptor solution (1.0 mmol in 20 mL MeOH) toAMFP solution (1.0 mmol in 20 mL MeOH). The mixed solutions werestirred for 2 h and then allowed to evaporate at room temperature.The resulting colored products were collected, washed with a small amount of MeOH, and dried over anhydrous calcium chloride in adesiccator. (AMFP)2-CLA complex: (purple solid CT complex;Mw. 427 gmol-1,MP > 350 °C). The calculated microanalytical results forC16H16N6O4Cl2 are C, 45.0%; H, 3.77%; N, 19.7%, and the foundedvalues were C, 44.5%; H, 3.76%; N, 19.9%. IR: ν (cm-1); 3308 (m),3158 (b), 3220 (w), 2679 (b) 1688 (m), 1650 (m), 1621(w), 1603(m), 1573 (m), 1531 (m), 1494 (s), 1364 (m), 1332(m), 1296 (m), 1260 (m), 1173 (s), 983(m), 863 (s), 824 (s), 804 (s), 749 (m), 673(w), 599 (w), 571 (s), 551 (w), 533 (w), 447 (s), 418(m). 1H NMR(DMSO-d6): δH 8.47 (d, 2H, NH2), 7.77 (d, 1H, pyridine H6), 7.71 (s,1H, pyrimidine H2), 7.16 (s, 2H, NH2), 6.72 (d, 1H, pyrimidine H5),5.45 (br s, 1H, NH) ppm. 13C NMR (DMSO-d6): δC 104.88, 107.16,122.59, 132.12, 132.22, 148.37 and 172.18 ppm. UV-Vis (DMF),λmax, nm (ε, L mol-1 cm-1), 519 (7446).
  • 77
  • [ 21187-98-4 ]
  • [ 87-88-7 ]
  • C15H21N3O3S*C6H2Cl2O4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
In acetonitrile at 20℃; for 2h; 2.4 Preparation of CT complexes General procedure: The solid form of the formed CT complexes was achieved by mixing a 0.323 g of the drug in least amount of acetonitrile and then a PCA (0.208 g) or DDQ (0.227 g) solution was added in the same solvent with a continuous stirring for 2 h at room temperature. A color produced and the solution was allowed to slowly evaporate at room temperature. Charge transfer complexes were formed, filtered off, washed with little amounts of methanol several times and dried over anhydrous calcium chloride under vacuum. The prepared solid complexes were confirmed by IR, 1H-NMR, Mass, thermal, elemental analysis and XRD.
  • 78
  • [ 87-88-7 ]
  • [ 1481-02-3 ]
  • C6H2Cl2O4*C5H5F3N2O [ No CAS ]
YieldReaction ConditionsOperation in experiment
In methanol at 20℃; 2.2.2. FTIR spectroscopy General procedure: The CT interaction between the donor (FP) and each acceptorwas examinedby IR spectroscopy using a Tracer-100 Shimadzu Fourier TransformInfrared (FTIR) Spectrophotometer. For this purpose, 1 mmol of FPdonorwas dissolved in 15 mL of methanol andmixed with 15 mL methanolicsolution containing 1 mmol of the acceptor (PA, CLA, TFQ, DDQ, orTCNQ). Color changes were observed upon mixing, as pictured in Fig. 2.After stirring the resultant five mixtures for 15-20 min at room temperature,solid, colored precipitates were harvested by slow evaporation.These colored precipitates were isolated, filtered, thoroughly washedwith methanol, and dried in a vacuum using CaCl2 (anhydrous). The PAformed a yellow-colored powder, CLA formed a reddish-brown-coloredpowder, TFQ formed an orange-colored powder, DDQ formed a reddishbrown-colored powder, and TCNQ formed a green-colored powder. TheFTIR spectra of the synthesized CTCs were collected and plotted in transmissionmodeover the 4000 to 400 cm-1 range at room temperature.
  • 79
  • [ 87-88-7 ]
  • [ 100-21-0 ]
  • lanthanide(III)chloride heptahydrate [ No CAS ]
  • [ 33513-42-7 ]
  • 2La(3+)*2C6Cl2O4(2-)*4C8H4O4(2-)*4C3H7NO [ No CAS ]
YieldReaction ConditionsOperation in experiment
81% at 80 - 130℃; for 72h; Sealed tube; [(La2(CA)2(BDC)4)4DMF]n (3). A mixture of LaCl37H2O (0.04 mmol), H2BDC(0.12 mmol) and H2CA (0.04 mmol) in a mole ratio of 1:3:1 in DMF (2 mL) was heatedsequentially at 80 C for 24 h and 130 C for 48 h in a sealed glass ampule. The obtainedpurple crystals were separated by the filtration, washed with DMF (2 2 mL) and driedon air. Yield was 81% based on LaCl37H2O. Visually, the compound lost its crystallinitywithin 1 day. According to the data of X-ray structural analysis, compound 3 contains0.6 DMF molecules per simplest unit. According to elemental analysis, after the loss ofcrystallinity, the compound does not contain guest solvent. Elemental analysis calculatedfor [C34H36Cl4N4O16La2]: C, 36.94; H, 3.28; N, 5.07. Found: C, 37.16; H, 3.22; N 5.39%. IR(Nujol, KBr, cm-1): 1676 w, 1654 w, 1604 w, 1587 w, 1512 w, 1439 w, 1418 w, 1312 m, 1296 m,1252 s, 1151 m, 1130 s, 1106 w, 1164 s, 1015 m, 993 s, 890 s, 862 s, 841 w, 826 m, 816 m, 785 s,754 w, 675 w, 595 m, 576 w, 540 s, 510 w. Electronic absorption spectrum (Nujol, l (nm)):350, 520.
  • 80
  • [ 87-88-7 ]
  • [ 1201438-56-3 ]
  • C22H17ClN6O*C6H2Cl2O4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
In methanol at 25℃; for 0.5h; 2.4. Synthesis of the solid complex The CTC of DUV with CLA was synthesized by mixing 10-mL ofsolutions containing 41.69 mg (0.1 mmol) of DUV and 20.9 mg(0.1 mmol) of CLA in methanol. The mixture solution was allowedto proceed with a continuously magnetic stirring for 30 min atroom temperature (25 ± 2 C). Then, the reaction solution was bubbledwith helium gas to evaporate the solvent, and the obtainedresidue was dried in a vacuum desiccator over anhydrous calcium chloride. The dried residue was subjected to analysis by FT-IR and1H NMR spectroscopy.
  • 81
  • [ 14220-64-5 ]
  • [ 87-88-7 ]
  • [ 121-44-8 ]
  • [ 75-05-8 ]
  • (triethylammonium)2[Pd2(chloranilate)2(μ-Cl)2]·2CH3CN [ No CAS ]
YieldReaction ConditionsOperation in experiment
84% Stage #1: 3,6-dichloro-2,5-dihydroxy-1,4-benzoquinone; triethylamine In chloroform at 20℃; Stage #2: bis(benzonitrile)palladium(II) dichloride In chloroform Stage #3: acetonitrile In diethyl ether Synthesis of (Et3NH)2[Pd2(ca)2(μ-Cl)2]·2CH3CN. To a solution of chloranilic acid (54.4 mg, 0.260 mmol) in15 mL of chloroform, triethylamine (72.5 μL, 0.520 mmol) was added. The resulting solution was mixed with a solution ofthe [Pd(PhCN)2Cl2] complex (100 mg, 0.260 mmol) in 15 mL of chloroform. In two hours, after stirring at room temperature,a yellow-green precipitate was filtered off, washed with ethanol and diethyl ether, and dried in vacuum. Single crystals of thecomplex were obtained as a result of ether vapor diffusion into a solution of the complex in acetonitrile. Yield was 98.5 mg(84%). Found (%): C 34.10, H 4.01, N 5.60; calculated for C28H38N4Cl6O8Pd2 (%): C 34.10, H 4.09, N 5.68. IR (KBr,ν, cm-1): 3508 w; 3063 s; 2982 w; 2816 w; 1703 s; 1684 s; 1661 vs; 1468 m; 1452 m; 1387 w; 1157 m; 1061 w; 1032 w;1013 w; 864 m; 806 w; 642 w. 13C NMR (125.76 MHz, 298 K, CD3CN) (ppm): 8.20 (s, Et3NH+), 46.97 (s, Et3NH+),117.29 s, 170.89 s.
  • 82
  • [ 87-88-7 ]
  • [ 18212-81-2 ]
  • C11H15NO4*C6H2Cl2O4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
79.58% In ethanol at 80℃; for 3h; 2.2. Synthesis of the CT-complex [SAL-THAM-CLA] The solid CT complex is prepared as follow: (1) Synthesis of Schiff‘s base [ SAL-THAM] derived from sali- cylaldehyde and Tris-(hydroxymethyl)aminomethane, THAM, as previously described [34] . (2) Addition of 1.25 mmol of ethanolic solution of CLA (0.0261 g, in 25 mL of EtOH) to 1.25 mmol of [SAL-THAM] (0.0281 g, in 25 mL of EtOH), and applying reflux for 3 h at 80 °C. (3) The solution was allowed to gently evaporate at room tem- perature, yielding a pink solid. The pink crystals were fil- tered off, washed multiple times with EtOH, then using di- ethyl ether, and finally dried in a vacuum desiccator for 24 h over anhydrous CaCl 2 . Using methanol or acetonitrile as sol- vents, the identical complex was obtained. [SAL-THAM-CLA] Yield: (79.58%); M.W. 434.22 g mol -1 ; m.p. = 177 °C). Elemental analysis, found: C, 47.16; H, 3.79; N, 3.48%; Calculated for C 17 H 17 Cl 2 NO 8 : C, 47.02; H, 3.95; N, 3.23%. IR: (cm -1 ); 3417 (m), 3240 (m), 1620 (s), 1520 (s), 1504(s), 1373(s), 1265(s), 1165(s), 1056(s),825 (s), 700 (w). 1 H NMR (DMSO-d 6 ): H 7.67 (CH, benzene), 5.24 (broad, OH, alcohol), 3.47, 2.49 (CH 2 , methylene) ppm. 13 C NMR (DMSO-d 6 ): C 39.50, 59.28, 60, 96 and 104.67 ppm.
  • 83
  • [ 26042-63-7 ]
  • dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer [ No CAS ]
  • [ 87-88-7 ]
  • [ 1287311-69-6 ]
  • C100H92Cl4N4O8Rh4(4+)*4F6P(1-) [ No CAS ]
YieldReaction ConditionsOperation in experiment
82% Stage #1: 3,6-dichloro-2,5-dihydroxy-1,4-benzoquinone With sodium hydroxide In acetonitrile for 6h; Stage #2: silver(I) hexafluorophosphate; dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer In acetonitrile for 6h; Darkness; Stage #3: 4,4'-(2,6-anthracenediyl)bis-pyridine In acetonitrile
  • 84
  • dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer [ No CAS ]
  • [ 87-88-7 ]
  • [ 2923-28-6 ]
  • C22H14N4 [ No CAS ]
  • 3C96H88Cl4N8O8Rh4(4+)*12CF3O3S(1-) [ No CAS ]
YieldReaction ConditionsOperation in experiment
79% Stage #1: 3,6-dichloro-2,5-dihydroxy-1,4-benzoquinone With sodium hydroxide In methanol for 6h; Stage #2: dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; silver trifluoromethanesulfonate In methanol for 6h; Darkness; Stage #3: C22H14N4 In methanol
  • 85
  • [ 5318-27-4 ]
  • [ 87-88-7 ]
  • C8H8N2*C6H2Cl2O4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
In methanol at 25℃; for 2h; 2.1.2. Synthesis of organic PT CT Complex The synthesis of organic PT CT complex by using a mixture of 1 mmol saturated methanol solution of 6 AMI (0.132g), and CLA (0.208g). This donor and acceptor upon mixing a violet color so- lution have appeared. The solution was stirred at 25 °C for 120 min and allowed to evaporate for 8-10 days, forming a solid crys- talline PT CT complex. The solid substance was filtered through Whatmann:41 filter paper and washed away with methanol sev- eral times before being dried over anhydrous CaCl 2 . The chemi- cal formula of the produced PT CT complex (Molecular formula: C 14 H 10 Cl 2 O 4 N 2 + , m. wt: 341.14), and its elemental analysis (using SEM EDX) are experimentally and theoretically estimated.
  • 86
  • [ 87-88-7 ]
  • (S)-(-)-sulpiride [ No CAS ]
  • C6H2Cl2O4*C15H23N3O4S [ No CAS ]
YieldReaction ConditionsOperation in experiment
In methanol UV-irradiation; 3.1 Experiment 1 General procedure: We prepared methanolic standard solutions (5×10-4 M) of the donor and the acceptors (TFQ, CLA, DDQ, and TCNQ), and dichloromethane standard solutions (5×10-4 M) of the donor and I2. We found that in methanol or dichloromethane solvents, the donor solution was colorless while the TFQ, CLA, TCNQ, and DDQ in methanol and I2 in dichloromethane were bright and diversely colored, as illustrated in Fig. 3 for the acceptors dissolved in methanol, and in Fig. 4 for I2 dissolved in dichloromethane. After preparing these standard solutions, they were mixed equivalently to get the corresponding donor-acceptor system [(donor-TFQ, -CLA, -TCNQ, and -DDQ) in methanol, and (donor-I2) in dichloromethane]. Strong changes in color resulted from the CT complexation between the donor and each acceptor, as pictured in Fig. 5 . As described above, these color changes are either the formation of a new color different from that of the free acceptor, as was the case with DDQ, CLA, and I2 acceptors, or increasing the intensity of the existing color of the acceptor, which was observed with the TFQ and TCNQ acceptors. Fig. 6 contains the UV-Vis spectra of the donor-TFQ, -CLA, -TCNQ, -DDQ, and -I2 systems along with that of the constituent components for each system. The colorless solution of the donor in methanol solvent as well in the dichloromethane solvent absorbed weakly with a weak absorption band located at 290nm, which could be attributed to the π→π* transitions generated from the absorption of the phenyl ring in the donor molecule.
  • 87
  • [ 87-88-7 ]
  • [ 1809249-37-3 ]
  • C27H35N6O8P*C6H2Cl2O4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
In methanol at 25℃; for 0.5h; 2.5. Synthesis of the solid CTC Synthesis of the proposed CTC of REM with CLA took place by mixing 10-mL of solutions containing 60.26 mg (0.1 mmol) of REM and 20.9 mg (0.1 mmol) of CLA in methanol. The resulting mix- ture was allowed to proceed at room temperature (25 ±2 °C) for 30 min with continual magnetic stirring. The reaction solution was then bubbled with helium gas to vaporize the solvent, and the re- sulting residue was left to dry over anhydrous calcium chloride in a vacuum desiccator. FT-IR and 1 H NMR spectroscopy were em- ployed to analyze the dried residue.
  • 88
  • [ 87-88-7 ]
  • [ 130-95-0 ]
  • C20H24N2O2*C6H2Cl2O4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
In methanol General procedure: Complex QN-A was synthesized as reported in Ref. [27,31,88]. Briefly, a solution of QN (1 mmol) in dichloromethane solvent containing1 mmol (25 mL) was stirred for 1-2 min. A solution of A1(2 mol) in the same solvent (25 mL) was introduced via dropwise manner. The mixture was stirred for an additional 5 min and leftto evaporate until the solvent reached half (25 mL) of its originalvolume (50 mL). At this point, a brown precipitate (QN-A1 complex)was formed. Complexes QN-A2, QN-A3, QN-A4, and QN-A5 were synthesized as reported in Ref. [16,25,26,29,30,59,67]. Briefly,solutions of QN (four portions), A2, A3, A4, and A5 were preparedin methanol by dissolving 1 mmol of each reagent in 25 mL of methanol and heating gently to facilitate this process. Then, the QN solution was mixed with each acceptor’s solution to get QNA2,-A3, -A4, and -A5 mixture. All of the mixtures were stirredfor 1-2 min to ensure the donor and acceptor were thoroughlymixed and then left to evaporate by half. At this point, a colored precipitate formed in each mixture. A2 formed a yellow-greenishprecipitate with QN, A3 formed a dark brown precipitate, A4formed a dark violet precipitate, while A5 formed a light brown precipitate with QN. All of the precipitates were removed fromthe reaction vessels and rinsed with 10 mL of solvent to remove any unreacted starting materials. The resultant QN CT complexeswere kept in a desiccator containing anhydrous CaCl2.
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