Home Cart 0 Sign in  

[ CAS No. 42333-78-8 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 42333-78-8
Chemical Structure| 42333-78-8
Structure of 42333-78-8 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 42333-78-8 ]

Related Doc. of [ 42333-78-8 ]

Alternatived Products of [ 42333-78-8 ]

Product Details of [ 42333-78-8 ]

CAS No. :42333-78-8 MDL No. :MFCD00129048
Formula : C18H12N6 Boiling Point : -
Linear Structure Formula :- InChI Key :CBMYFVSIIYILRH-UHFFFAOYSA-N
M.W : 312.33 Pubchem ID :317666
Synonyms :

Calculated chemistry of [ 42333-78-8 ]

Physicochemical Properties

Num. heavy atoms : 24
Num. arom. heavy atoms : 24
Fraction Csp3 : 0.0
Num. rotatable bonds : 3
Num. H-bond acceptors : 6.0
Num. H-bond donors : 0.0
Molar Refractivity : 89.52
TPSA : 77.34 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : Yes
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -6.96 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.54
Log Po/w (XLOGP3) : 1.75
Log Po/w (WLOGP) : 3.06
Log Po/w (MLOGP) : 0.8
Log Po/w (SILICOS-IT) : 3.27
Consensus Log Po/w : 2.28

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -3.42
Solubility : 0.118 mg/ml ; 0.000379 mol/l
Class : Soluble
Log S (Ali) : -2.99
Solubility : 0.319 mg/ml ; 0.00102 mol/l
Class : Soluble
Log S (SILICOS-IT) : -7.7
Solubility : 0.00000627 mg/ml ; 0.0000000201 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.1

Safety of [ 42333-78-8 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 UN#:N/A
Hazard Statements:H315-H319 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 42333-78-8 ]

* 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 [ 42333-78-8 ]

[ 42333-78-8 ] Synthesis Path-Downstream   1~88

  • 2
  • [ 42333-78-8 ]
  • [ 7732-18-5 ]
  • molybdenum(VI) oxide [ No CAS ]
  • 2(C5H4N)3N3C3H2(2+)*Mo8O26(4-)*2H2O=((C5H4N)3N3C3H2)2Mo8O26*2H2O [ No CAS ]
  • 3
  • [ 42333-78-8 ]
  • [ 321559-06-2 ]
  • Zn(C20H2N4(CH3)4(CH2CH2CO2CH3)4(C6H4CCH)C6H4C2Si(CH3)3) [ No CAS ]
  • Ru(2+)*CO*2Zn(2+)*(C20H2N4(CH3)4(CH2CH2CO2CH3)4)3(C6H4C2C6H4)2(C6H4CCH)2(6-)*(C5H4N)3C3N3 [ No CAS ]
  • 4
  • [ 42333-78-8 ]
  • [ 100-47-0 ]
  • zinc(II) iodide [ No CAS ]
  • (ZnI2)3[2,4,6-tris(4-pyridyl)triazine]2* (cyanobenzene)6 [ No CAS ]
  • 5
  • [ 42333-78-8 ]
  • [ 98-95-3 ]
  • zinc(II) iodide [ No CAS ]
  • ([(ZnI2)3(2,4,6-tris(4-pyridyl)triazine)2]*5.5nitrobenzene)n [ No CAS ]
YieldReaction ConditionsOperation in experiment
81.6% In methanol; at 20℃; for 0.5h; 50.2 mg (0.16 mmol) of 2,4,6-tris(4-pyridyl)- 1 ,3,5-triaz- inc (TPT) was dissolved in a nitrobenzene/methanol (32mL/4 mL) mixture to prepare a ligand solution. A metalsolution prepared by dissolving 76.5 mg (0.24 mmol) ofZn12 in 8 mL of methanol was mixed with the ligand solution at room temperature. The mixture was stirred for 30 seconds,and a precipitate (white crystals) was filtered off to obtain 151.7mg of a white powder (yield: 81.6%).The resulting white powdery sample was identified by elemental analysis and thermogravimetry-mass spectrometry (TG-MS), and found to be [(ZnI2)3(TPT)2(PhNO2)55](polymer-metal complex 1).Elemental Analysis ResultsCald.: C, 36.68%; H, 2.30%; N, 10.85%.Found: C, 36.39%; H, 2.43%; N, 10.57%.
  • 6
  • [ 290-37-9 ]
  • [ 42333-78-8 ]
  • [ 50475-22-4 ]
  • [ 808-57-1 ]
  • [((Pt(ethylenediamine))2(pyrazine)(C3N3(C5H4N))3](NO3)12*C6(C4H2(OCH3)2)3 [ No CAS ]
  • 7
  • [ 290-37-9 ]
  • [ 42333-78-8 ]
  • [ 63994-76-3 ]
  • [ 808-57-1 ]
  • [((Pd(ethylenediamine))2(pyrazine)(C3N3(C5H4N))3](NO3)12*C6(C4H2(OCH3)2)3 [ No CAS ]
  • 8
  • [ 42333-78-8 ]
  • [ 29089-56-3 ]
  • [(Pd(2,2'-bipyridine))6(2,4,6-tri(4-pyridyl)1,3,5-triazine)4][NO3]12*9H2O [ No CAS ]
  • 9
  • [ 42333-78-8 ]
  • [ 6662-72-2 ]
  • [ 63994-76-3 ]
  • [ 191-07-1 ]
  • ((C18H12N6)2(C14H16N2)3(Pd(C2N2H8))6)(12+)*2(C24H12) [ No CAS ]
  • 10
  • [ 851868-26-3 ]
  • [ 42333-78-8 ]
  • [ 63994-76-3 ]
  • [ 191-07-1 ]
  • ((C18H12N6)2(C20H20N2)3(Pd(C2N2H8))6)(12+)*2(C24H12)*(C18H12N6) [ No CAS ]
  • 11
  • [ 42333-78-8 ]
  • copper(II) nitrate trihydrate [ No CAS ]
  • [ 174501-65-6 ]
  • [Cu3(2,4,6-tris(4-pyridyl)-1,3,5-triazine)4](BF4)3*0.67(2,4,6-tris(4-pyridyl)-1,3,5-triazine)*5H2O [ No CAS ]
  • 12
  • [ 42333-78-8 ]
  • [ 63994-76-3 ]
  • C84H96N36Pd6(12+)*12NO3(1-)*12H2O=C84H96N36Pd6(NO3)12*12H2O [ No CAS ]
  • 13
  • [ 42333-78-8 ]
  • [ 129-00-0 ]
  • [ 6662-72-2 ]
  • [ 63994-76-3 ]
  • [ 7732-18-5 ]
  • [Pd6(ethylenediamine)6(2,2',6,6'-tetramethyl-4,4'-bipyridine)3(2,4,6-tris(4'-pyridyl)-1,3,5-triazine)2](NO3)12*2(pyrene)*17.3H2O [ No CAS ]
  • 14
  • [ 42333-78-8 ]
  • [ 12354-84-6 ]
  • [Ir3(η5-pentamethylcyclopentadienyl)3(μ3-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)Cl6] [ No CAS ]
  • 15
  • [ 851868-26-3 ]
  • [ 42333-78-8 ]
  • porphyrine [ No CAS ]
  • [ 63994-76-3 ]
  • 6Pd(2+)*3C18H12N6*6C2H8N2*3C20H20N2*12NO3(1-)*2C20H14N4 = (C108H132N30Pd6)(NO3)12*2C20H14N4*C3N3(C5H4N)3 [ No CAS ]
  • 16
  • [ 42333-78-8 ]
  • cis-[Ru(1,4,7,10-tetrathiacyclododecane)(H2O)(dmso)](NO3)2 [ No CAS ]
  • [(Ru([12]aneS4))6(2,4,6-tri(4-pyridyl)-1,3,5-triazine)4](NO3)12 [ No CAS ]
  • 17
  • [ 42333-78-8 ]
  • [ 1055877-99-0 ]
  • ([CC(Zn(CC4H2N)4(C6H4OCH2CH)2CCSi(C6H13)3)]2)3((NCC5H4N)3)2 [ No CAS ]
  • 18
  • [ 42333-78-8 ]
  • [ 98-95-3 ]
  • zinc dibromide [ No CAS ]
  • (ZnBr2)3(2,4,6-tris(4-pyridyl)triazine)2*6(nitrobenzene) [ No CAS ]
  • 19
  • [ 42333-78-8 ]
  • [ 98-95-3 ]
  • zinc dibromide [ No CAS ]
  • (ZnBr2)3(2,4,6-tris(4-pyridyl)triazine)2*5(nitrobenzene)*H2O [ No CAS ]
  • 20
  • [ 42333-78-8 ]
  • [ 1039768-31-4 ]
  • [ 2923-28-6 ]
  • [(p-cymene)6Ru6(2,4,6-tris(pyridyl-4-yl)-1,3,5-triazine)2(2,5-dihydroxy-1,4-benzoquinonato)3](CF3SO3)6 [ No CAS ]
  • 21
  • [ 42333-78-8 ]
  • [ 1039768-31-4 ]
  • [ 2923-28-6 ]
  • [ 191-07-1 ]
  • coronene*[Ru6(p-cymene)6(2,4,6-tris(4-pyridyl)-1,3,5-triazine)2(2,5-dioxy-1,4-benzoquinonato)3](O3SCF3)6 [ No CAS ]
  • 22
  • [ 42333-78-8 ]
  • bis(acetylacetonato)palladium(II) [ No CAS ]
  • [ 1039768-31-4 ]
  • [ 2923-28-6 ]
  • [Ru6(η6-p-cymene)6(2,5-dihydroxy-1,4-benzoquinonato)3(2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)2](CF3SO3)6*Pd(acetylacetonate)2 [ No CAS ]
  • 23
  • platinum(II) bis(acetylacetonate) [ No CAS ]
  • [ 42333-78-8 ]
  • [ 1039768-31-4 ]
  • [ 2923-28-6 ]
  • [Ru6(η6-p-cymene)6(2,5-dihydroxy-1,4-benzoquinonato)3(2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)2](CF3SO3)6*Pt(acetylacetonate)2 [ No CAS ]
  • 24
  • [ 42333-78-8 ]
  • [ 1039768-31-4 ]
  • [ 4877-80-9 ]
  • [ 2923-28-6 ]
  • [hexahydroxytriphenylene.cntnd.[Rh6(p-Pr(i)C6H4CH3)6(2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)(2,5-dihydroxy-1,4-benzoquinonato)3]][O3SCF3]6 [ No CAS ]
  • 25
  • [ 42333-78-8 ]
  • [ 1039768-31-4 ]
  • [ 808-57-1 ]
  • [ 2923-28-6 ]
  • [hexamethoxytriphenylene.cntnd.[Rh6(p-Pr(i)C6H4CH3)6(2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)(2,5-dihydroxy-1,4-benzoquinonato)3]][O3SCF3]6 [ No CAS ]
  • 26
  • [ 42333-78-8 ]
  • [ 63994-76-3 ]
  • C86H94N34Pd6(18+)*12NO3(1-) [ No CAS ]
YieldReaction ConditionsOperation in experiment
97% In water; at 20℃; for 24h; In a 10 mL test tube there were placed 60 mg (0.206 mmol) of (en) Pd (II) dinitrate as a transition metal, 43 mg (0.137 mmol) of 2,4,6-tris(4-pyridyl)-1,3,5-triazine as a ligand and 10 mL of water, and the mixture was stirred at room temperature for 24 hours. The insoluble portion was then filtered out and the filtrate was concentrated with an evaporator, to obtain 98.7 mg of a light-yellow solid cage metal complex (Pd-Cage) (yield: 97%). The NMR of the obtained cage metal complex was measured to identify its structure.1H-NMR (500 MHz, D2O) delta 9.16(d, 2H,Ar-H),8.66(d, 2H,Ar-H),3.00(d, 2H,-NCH2CH2N).
  • 27
  • ammonium hexafluorophosphate [ No CAS ]
  • [ 42333-78-8 ]
  • [ 1196864-69-3 ]
  • [((2,6-diphenylpyridine(1-))Pt)6(4,4'-bipyridine)3(tpt)2](PF6)6 [ No CAS ]
  • 28
  • [ 42333-78-8 ]
  • [ 1196864-69-3 ]
  • [((2,6-diphenylpyridine(1-))Pt)6(4,4'-bipyridine)3(tpt)2](6+) [ No CAS ]
  • 29
  • [ 42333-78-8 ]
  • [ 6662-72-2 ]
  • [ 63994-76-3 ]
  • [ 7732-18-5 ]
  • [ 6217-22-7 ]
  • Pd6(C18H12N6)2(C14H16N2)3(N2C2H8)6(12+)*2C16H8O2*12NO3(1-)*27H2O=Pd6C36H24N12(C14H16N2)3(N2H8C2)6(C16H8O2)2(NO3)12*27H2O [ No CAS ]
  • 30
  • [ 42333-78-8 ]
  • [ 63994-76-3 ]
  • [ 7732-18-5 ]
  • [ 6217-22-7 ]
  • 1-pyridyl-4-(4'-pyridylethynyl)benzene [ No CAS ]
  • 6Pd(2+)*2C18H12N6*3C18H12N2*6N2C2H8*4C16H8O2*12NO3(1-)*26H2O=Pd6C36H24N12(C18H12N2)3(N2H8C2)6(C16H8O2)4(NO3)12*26H2O [ No CAS ]
  • 31
  • [ 42333-78-8 ]
  • [ 63994-76-3 ]
  • [ 7732-18-5 ]
  • [ 13362-78-2 ]
  • [ 6217-22-7 ]
  • Pd6(C18H12N6)2(C12H10N2)3(N2C2H8)6(12+)*3C16H8O2*12NO3(1-)*20H2O=Pd6C36H24N12(C12H10N2)3(N2H8C2)6(C16H8O2)3(NO3)12*20H2O [ No CAS ]
  • 32
  • [ 42333-78-8 ]
  • [ 63994-76-3 ]
  • [ 1206837-84-4 ]
  • [ 6217-22-7 ]
  • 6Pd(2+)*2C18H12N6*3C26H24N2O4*6N2C2H8*5C16H8O2*12NO3(1-)=Pd6C36H24N12(C26H24N2O4)3(N2H8C2)6(C16H8O2)5(NO3)12 [ No CAS ]
  • 33
  • [ 42333-78-8 ]
  • [ 217-59-4 ]
  • [ 6662-72-2 ]
  • [ 63994-76-3 ]
  • [ 20958-66-1 ]
  • Pd6(N2C2H8)6(N6C18H12)2(N2C14H16)3(12+)*12NO3(1-)*C18H12*N2C16H10O4=(Pd6N30C90H120)(NO3)12*C18H12*N2C16H10O4 [ No CAS ]
  • 34
  • [ 42333-78-8 ]
  • [ 201941-87-9 ]
  • [ 2923-28-6 ]
  • [ 191-07-1 ]
  • coronene.cntnd.[Ru2(p-cymene)2Cl2(9,10-dioxo-9,10-dihydroanthracene-1,4-diolato)]3(2,4,6-tris(4-pyridyl)-1,3,5-triazine)(SO3CF3)6 [ No CAS ]
  • 35
  • [ 42333-78-8 ]
  • dichloro(μ-[6,11-di(hydroxy-κO)naphthacene-5,12-dionato(2-)-κO5:κO12])bis[(1,2,3,4,5,6-η)-1-methyl-4-(1-methylethyl)benzene]diruthenium [ No CAS ]
  • [ 2923-28-6 ]
  • [ 191-07-1 ]
  • coronene.cntnd.[Ru2(p-cymene)2Cl2(6,11-dioxo-6,11-dihydronaphthacene-5,12-diolato)]3(2,4,6-tris(4-pyridyl)-1,3,5-triazine)(SO3CF3 [ No CAS ]
  • 36
  • [ 42333-78-8 ]
  • zinc(II) iodide [ No CAS ]
  • [(ZnI2)3(2,4,6-tris(4-pyridiyl)-1,3,5-triazine)2]n [ No CAS ]
  • 38
  • [ 42333-78-8 ]
  • 5C4H9NO*C52H40O19(6-)*3Co(2+) [ No CAS ]
  • C52H40O19(6-)*3Co(2+)*C18H12N6*HO(1-)*C2H7N*H(1+) [ No CAS ]
  • 39
  • [ 42333-78-8 ]
  • [ 1417373-26-2 ]
  • 6Pd(2+)*4C18H12N6*12NO3(1-)*6C30H28N2 [ No CAS ]
  • 40
  • [ 42333-78-8 ]
  • [ 263240-16-0 ]
  • [(bis(diphenylphosphino)ferrocene)Pd]6(μ-2,4,6-tris(4-pyridyl)1,3,5-triazine)4(OSO2CF3)12 [ No CAS ]
  • 41
  • [ 42333-78-8 ]
  • [ 114403-39-3 ]
  • 12C18H15P*6Fe(2+)*6Pd(2+)*4C18H12N6*12CF3O3S(1-) [ No CAS ]
  • 42
  • [ 42333-78-8 ]
  • [ 12354-84-6 ]
  • [ 2923-28-6 ]
  • [ 41464-83-9 ]
  • C126H144Ir6N18(6+)*6CF3O3S(1-) [ No CAS ]
  • 43
  • [ 42333-78-8 ]
  • [ 761442-02-8 ]
  • C108H145N36Pd6(12+)*12NO3(1-) [ No CAS ]
YieldReaction ConditionsOperation in experiment
87% In water; acetonitrile; at 70℃; for 1h; To a clear solution of [cis-Pd(tmeda)(NO3)2] (0.0173 g, 0.05 mmol) in 5 ml of CH3CN:H2O(1:1), the ligand L2 (0.0106 g, 0.034 mmol) was added. The reaction suspension was stirredfor one hour at 70 C. The clear solution was evaporated at room temperature and driedunder vacuum to obtain the complex 3 as a pale yellow solid (0.0290 g, 87%).
  • 44
  • palladium (II) nitrate [ No CAS ]
  • [ 42333-78-8 ]
  • [ 110-18-9 ]
  • C108H145N36Pd6(12+)*12NO3(1-) [ No CAS ]
YieldReaction ConditionsOperation in experiment
83% In water; acetonitrile; at 70℃; for 1h; Ligand L3 (0.0106 g, 0.034 mmol) and stock solution of tmeda (149 muL, 0.0058 g, 0.05mmol) was taken in 5 mL of CH3CN:H2O (1:1). To this suspension, Pd(NO3)2 (0.0115 g, 0.05mmol) was added and stirred for one hour at 70 C. The pale yellow clear solution wasevaporated at room temperature to give pale yellow solid. This solid was washed withacetone, diethyl ether and finally dried under vacuum to give rise to the complex 3 as a paleyellow solid (0.023 g, yield 83%).
  • 45
  • [ 42333-78-8 ]
  • [ 75-09-2 ]
  • [ 1610839-33-2 ]
  • [ 7732-18-5 ]
  • [ 2923-28-6 ]
  • [(η5-C5Me5)6Ir63-[2,4,6-tri-(pyridin-4-yl)-1,3,5-triazine]-κN)24-C6H[(CH2)10CH3]O4-κO)3][CF3SO3]6*6H2O*5CH2Cl2 [ No CAS ]
  • 46
  • [ 108-77-0 ]
  • [ 181219-01-2 ]
  • [ 42333-78-8 ]
YieldReaction ConditionsOperation in experiment
81% With bis-triphenylphosphine-palladium(II) chloride; potassium carbonate; In 1,4-dioxane; water; at 20 - 50℃; for 18h;Inert atmosphere; <a> Synthesis of Intermediate (10- 1) Intermediate (10) A flask was charged with 3.0 g of 2,4,6-trichloro- l,3, 5_triazine, and was purged with argon gas. To the flask, thereafter, dioxane (100 mL), pyridineboronic acid pinacol ester (9.0 g), and PdCl2(PPh3)2 (300 mg) were added. To the mixture, 2M K2CO 3 (14 mL) was added, and the resulting mixture was stirred for 8 hours at 50C, followed by stirring for 10 hours at room temperature. The resultant was filtered with Celite, and water and chloroform were added to the filtrate to separate an organic layer. Thereafter, a water layer was extracted 3 times with chloroform. The combined organic layer was washed with saturated salt water, followed by drying with sodium sulfate to condensate the filtrate, to thereby obtain a crude product (the yielded amount: 4.5 g). The crude product was purified by silica-gel column chromatography (eluent: CHCla/methanol = 93/7), and the obtained solids were dispersed and washed in chloroform/hexane. The solids were collected by filtration, and the obtained solids were vacuum dried to thereby obtain a target compound as white solids (the yielded amount: 4.1 g; the yield: 81%).
  • 47
  • [ 42333-78-8 ]
  • copper(II) acetate dihydrate [ No CAS ]
  • [ 1655-43-2 ]
  • Cu(2+)*C10H6O6S2(2-)*C18H12N6*H2O [ No CAS ]
YieldReaction ConditionsOperation in experiment
74% In water; at 170℃; for 96h; Cu(OAc)2*2H2O (0.036 g, 0.2 mmol), <strong>[42333-78-8]2,4,6-tri(4-pyridyl)-1,3,5-triazine</strong> (TPT) (0.062 g, 0.2 mmol), and 2,6-naphthalenendisulfonic acid disodium salt (NSA) (0.032 g, 0.1 mmol) were dissolved in10 mL deionized water and were heated at 170 C for 4 days under autogenous pressure, followed by slow cooling at a rate of 10 C/min to room temperature. Dark red block crystals were isolated after filtration and washed by D.I. water three times (yield: 0.072 g,74% based on Cu(OAc)22H2O).
  • 48
  • [ 42333-78-8 ]
  • [ 14285-68-8 ]
  • [ 17241-59-7 ]
  • [(Re(CO)3)6(2-hydroxymethylanthraquinone)6(2,4,6-tris(4'-pyridyl)-1,3,5-triazine)2] [ No CAS ]
  • [(Re(CO)3)6(OH)6(2,4,6-tris(4'-pyridyl)-1,3,5-triazine)2] [ No CAS ]
YieldReaction ConditionsOperation in experiment
68.1 mg In toluene; at 150℃; for 25h;Autoclave; A mixture of Re2(CO)10 (98.4mg, 0.15mol), tpt(32 mg, 0.10 mmol), and H-mAq (71.5 mg, 0.30 mmol)in toluene (15 mL) was placed in a Teflon inliner whichwas placed in a stainless steel autoclave. The autoclavewas placed in an oven maintained at 150Cfor 25 h and then cooled to room temperature. Goodquality single crystals of 1 were separated from theresulting product and washed with pet-ether. Yield:68.1 mg. FTIR (KBr/cm-1): 2023 (C?O), 2018 (C?O),1809 (C?O), 1674 (C=O). 1HNMR (d6-DMSO): delta8.95 (12 H, d, 3JH,H = 6 Hz, Ha, tpt), 8.64 (12 H,d, 3JH,H = 6 Hz, Hb, tpt), 8.22-8.19 (12 H, m, H8,5, -mAq), 8.18 (6 H, s, H1, -mAq), 7.94-7.91 (12 H, m,H7,6, -mAq), 7.85 (6 H, d, H3, -mAq), 5.6 (6H, t, -OH,mAq), 4.7 (12 H, d, 2JH,H = 6 Hz, -CH2-,-mAq).
  • 49
  • [ 42333-78-8 ]
  • nickel(II) nitrate hexahydrate [ No CAS ]
  • [ 605-70-9 ]
  • [Ni3(OH)(naphthalene-1,4-dicarboxylate)3(2,4,6-tri(4-pyridinyl)-1,3,5-triazine)] [ No CAS ]
  • 50
  • [ 623-24-5 ]
  • [ 42333-78-8 ]
  • 2,4,6-tris(benzylpyridinium-4-yl)-1,3,5-triazine tris(hexafluorophosphate) [ No CAS ]
YieldReaction ConditionsOperation in experiment
58% 10072] TPT133 PF5. A solution of 1,4-bis(bromomethyl) benzene (7.98 g, 30.2 mmol) in 1:1 (v/v) MeCN-CH2C12 (120 mE) was heated to 90 C. in an atmosphere of argon and treated with solid TPT (703 mg, 2.25 mmol) in small portions. The mixture was stirred for 72 h, producing a yellow suspension over time. Afier cooling to room temperature, the suspension was diluted with CH2C12 (500 mE) and the solid was isolated by filtration. The filter cake was washed with copious amounts of CH2C12 and then triturated with MeOH (45 mE). The combined fractions were added to saturated aqueous NH4PF6 (500 mE), resulting in the precipitation of TPTI3 3 PF5 as a white solid (1.70 g, 1.31 mmol, 58%). ?H-NMR (500 MHz, CD3CN) oe 9.25 (d, J=6.5 Hz, 6H), 9.08 (d, J=7 Hz, 6H), 7.57 (d, J=8 Hz, 6H), 7.53 (d, J=8.5 Hz, 6H), 5.88 (s, 6H), 4.62 (s, 6H). ?3C-NMR (125 MHz, CD3CN) oe 170.2, 150.5, 147.2, 141.4, 133.5, 131.5, 130.8, 128.6, 65.5, 33.5. HRMS (ESI) Calcd. for C42H358r3F12N5P2: mlz=1 152.9809 [M-PF5]. found: 1152.9816.
  • 51
  • [ 42333-78-8 ]
  • 2,4,6-tris(benzylpyridinium-4-yl)-1,3,5-triazine tris(hexafluorophosphate) [ No CAS ]
  • C60H48N12(6+)*6F6P(1-) [ No CAS ]
YieldReaction ConditionsOperation in experiment
11% 10074] An intimate mixture of TPTH3PF5 (1.70 g, 1.31 mmol), 2,4,6-tris(4-pyridyl)-1 ,3,5-triazine (408 mg, 1.31 mmol), THAI (97 mg, 0.26 mmol) and phenanthrene (2.10 g, 11.8 mmol) in MeCN (500 mE) was heated under reflux in an atmosphere of argon for 3 days. The reaction mixture was cooled to room temperature and treated with an excess of THAHr to precipitate the remaining solid that was collected by filtration. The filter cake was triturated with a minimum amount of H20 and the combined aqueous fractions were subjected to continuous extraction with CHC13 for 7 days in order to remove the template. The aqueous phase was concentrated in vacuo and purified by preparative high-performance liquid chromatography, starting with H20 containing 0.1% TFA as eluent, and adding up to 25% of MeCN/0.1% TFA. The combined fractions were concentrated under vacuum and treated with saturated aqueous NH4PF6 to thrnish pure HlueCage6PF5 (257 mg, 143 tmol, 11%) as a white solid. ?H-NMR (500 MHz, CD3CN) oe 9.06 (d, J=6.5 Hz, 12H), 9.05 (d, J=6.5 Hz, 12H), 7.63 (s, 12H), 5.82 (s, 12H). ?3C-NMR (125 MHz, CD3CN) oe 169.4, 150.4, 146.1,136.8, 130.8, 128.7, 65.7. ?9F-NMR (470 MHz, CD3CN) oe-71.0 (d, J=706.9 Hz). 31P-NMR (162 MHz, CD3CN) oe-143.59 (sept, J=708.6 Hz). HRMS (ESI) Calcd. for C50H48F24N12P4: mlz=758. 1341 [M-2PF5]2. found:758.1346.
  • 52
  • [ 42333-78-8 ]
  • [Fe2NiO(pivalate)6(pivalic acid)3] [ No CAS ]
  • [ 7732-18-5 ]
  • [Fe2NiO(Piv)6(2,4,6-tris-(4-pyridyl)triazine)]*(1.25)H2O [ No CAS ]
  • 53
  • [ 42333-78-8 ]
  • silever triflate [ No CAS ]
  • C30H41Cl2N2O2Ru2 [ No CAS ]
  • C126H147N18O6Ru6(6+)*6CF3O3S(1-) [ No CAS ]
  • 54
  • [ 42333-78-8 ]
  • silever triflate [ No CAS ]
  • C30H41Cl2N2O2Ru2 [ No CAS ]
  • [ 191-07-1 ]
  • C24H12*C126H147N18O6Ru6(6+)*6CF3O3S(1-) [ No CAS ]
  • 55
  • [ 42333-78-8 ]
  • 6-Cp*Ir)24-5,8-dihydroxy-1,4-naphthoquinone)Cl2 [ No CAS ]
  • [ 2923-28-6 ]
  • [ 101-60-0 ]
  • C126H126Ir6N12O12(6+)*6CF3O3S(1-)*C20H14N4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
48% General procedure: A mixture of (Cp*M)2(dhnq)Cl2 (0.075 mmol) and AgCF3SO3 (0.15 mmol) in methanol (25 mL) was stirred at room temperature for 4 h and then filtered to remove AgCl. To the dark green filtrate, tpt (0.05 mmol) and porphin (0.025 mmol) were added and the solution was refluxed for 15 h, then the solvent was removed under vacuum. The residue was dissolved in dichloromethane (3 mL), and diethyl ether was slowly added to precipitate the dark green solid. The solid was removed by filtration and dried under vacuum. [porphin?2][CF3SO3]6 Yield 38 mg (48%).
  • 56
  • [ 42333-78-8 ]
  • (Cp*Rh)2(dhnq)Cl2 [ No CAS ]
  • [ 2923-28-6 ]
  • [ 101-60-0 ]
  • C126H126N12O12Rh6(6+)*6CF3O3S(1-)*C20H14N4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
52% General procedure: A mixture of (Cp*M)2(dhnq)Cl2 (0.075 mmol) and AgCF3SO3 (0.15 mmol) in methanol (25 mL) was stirred at room temperature for 4 h and then filtered to remove AgCl. To the dark green filtrate, tpt (0.05 mmol) and porphin (0.025 mmol) were added and the solution was refluxed for 15 h, then the solvent was removed under vacuum. The residue was dissolved in dichloromethane (3 mL), and diethyl ether was slowly added to precipitate the dark green solid. The solid was removed by filtration and dried under vacuum. [porphin?1][CF3SO3]6 Yield 45 mg (52%). 1H NMR (400 MHz, CD2Cl2): delta = 8.94 (s, 4H, Hmeso), 8.24 (d, 3J = 6.6, 12H, Halpha), 7.93 (br, 12H, Hdhnq + 8H, Hpyrrole), 6.38 (d, 3J = 6.6, 12H, Hbeta), 1.50 (s, 90H, C5Me5), -6.35 (s, 2H, NH) ppm. 13C{1H} NMR (100 MHz, CD2Cl2): delta = 165.5, 150.5, 140.7, 140.2, 137.0, 123.8, 120.2, 104.2, 95.6, 75.7, 8.3 ppm. IR (KBr, cm-1): 3468 (m, C-Har), 1536 (s, C=Odhnq), 1271 (s, CF3). ESI MS (CH3CN): 812.8 [(Cp*Rh)2(dhnq) + CF3SO3]+, 1124.8 [1 + 3 CF3SO3]3+, 1280.2 [(Cp*Rh)4(tpt)2(dhnq)2 + porphin +2 CF3SO3]2+.
  • 57
  • [ 42333-78-8 ]
  • 6-Cp*Ir)24-5,8-dihydroxy-1,4-naphthoquinone)Cl2 [ No CAS ]
  • [ 2923-28-6 ]
  • C126H126Ir6N12O12(6+)*6CF3O3S(1-) [ No CAS ]
YieldReaction ConditionsOperation in experiment
47% General procedure: A mixture of (Cp*M)2(dhnq)Cl2 (0.06 mmol) and AgCF3SO3 (0.12 mmol) in methanol (25 mL) was stirred at room temperature for 4 h and then filtered to remove AgCl. To the dark green filtrate, tpt (0.04 mmol) was added and the solution was refluxed for 15 h, then the solvent was removed under vacuum. The residue was dissolved in dichloromethane (3 mL), and diethyl ether was slowly added to precipitate the dark green solid. The solid was removed by filtration and dried under vacuum.
  • 58
  • [ 42333-78-8 ]
  • (Cp*Rh)2(dhnq)Cl2 [ No CAS ]
  • [ 2923-28-6 ]
  • C126H126N12O12Rh6(6+)*6CF3O3S(1-) [ No CAS ]
YieldReaction ConditionsOperation in experiment
54% General procedure: A mixture of (Cp*M)2(dhnq)Cl2 (0.06 mmol) and AgCF3SO3 (0.12 mmol) in methanol (25 mL) was stirred at room temperature for 4 h and then filtered to remove AgCl. To the dark green filtrate, tpt (0.04 mmol) was added and the solution was refluxed for 15 h, then the solvent was removed under vacuum. The residue was dissolved in dichloromethane (3 mL), and diethyl ether was slowly added to precipitate the dark green solid. The solid was removed by filtration and dried under vacuum. [1][CF3SO3]6 Yield 43 mg (54 %). 1H NMR (400 MHz, CD2Cl2): delta = 8.77 (d, 3J = 6.7, 12H, Halpha), 8.61 (d, 3J = 6.7, 12H, Hbeta), 7.26 (s, 12H, Hdhnq), 1.60(s, 90H, C5Me5) ppm. 13C{1H} NMR (100 MHz, CD2Cl2): delta = 171.6, 159.4, 155.5, 152.1, 144.9, 139.2, 125.9, 95.6, 8.4 ppm. IR (KBr, cm-1): 3502 (m, C-Har), 1537 (s, COdhnq), 1271 (s, CF3). ESI MS (CH3CN): 813.0 [(Cp*Rh)2(dhnq) + CF3SO3]+.
  • 59
  • [ 42333-78-8 ]
  • [ 74-88-4 ]
  • 1,1’,1“-trimethyl-4,4‘,4”-(1,3,5-triazin-2,4,6-triyl)tripyridinium trisiodide [ No CAS ]
YieldReaction ConditionsOperation in experiment
65% In N,N-dimethyl-formamide; at 90℃; for 0.166667h; Commercially available 2,4,6-tris-(4-pyridyl)-1,3,5-triazine(0.75 g, 2.4 mmol) was mixed with 20 mL of dimethylformamide(DMF) and briefly stirred until opaque. Methyl iodide (0.60 mL,9.6 mmol) was added via glass syringe. The mixture turned redafter 10 min of heating at 90 C and was then allowed to stir for48 h at 90 C with reflux. The resulting red solid was collectedvia vacuum filtration and washed with 6 mL of diethyl ether. Thedried solid was recrystallized from hot water. After slow cooling,vacuum filtration, cold water wash and air drying, 1.7 g of dark,shiny needles was obtained. This product showed two meltingpoint peaks at 343 C and 383 C. To purify, 1.4 g was dissolvedin 20 mL of hot water and then cooled slowly. After about 1 h, thisorange solution produced long dark needles with a yellow supernatant.Vacuum filtration, cold water wash and air drying gavelong shiny dark red needles (1.14 g, 81% recovery, 65% overallyield, n.m.pt. 383 C). Slow evaporation of the combined filtrateand wash eventually grew additional needles several cm long.The NMR of the recrystallized product coincides with that reportedby Gries et al. [14] for the hexafluorophosphate salt of the sametriazinium cation. 1H NMR (400 MHz, [D6] DMSO) delta = 9.48 (d, 6H,2-H, 20-H, 200-H, 6-H, 60-H, 600-H), 9.36 (d, 6H, 3-H, 30-H, 300-H, 5-H,50-H, 500-H), 4.50 (s, 9H, 1-H, 130-H, 1300-H).
65% In N,N-dimethyl-formamide; at 90℃; for 48h; Commercially available 2,4,6-tris-(4-pyridyl)-1,3,5-triazine (0.75 g, 2.4 mmol) was mixed with 20 mL of dimethylformamide (DMF) and briefly stirred until opaque. Methyl iodide (0.60 mL, 9.6 mmol) was added via glass syringe. The mixture turned red after 10 minutes of heating at 90C and was then allowed to stir for 48 h at 90C with a reflux condenser. The resulting red solid was collected via vacuum filtration and washed with 6 mL of diethyl ether. The dried solid was recrystallized from hot water. After slow cooling, vacuum filtration, cold water wash and air drying, 1.7 g of dark, shiny needles was obtained. This product showed two melting point peaks at 343C and 383C. To purify, 1.4 g was dissolved in 20 mL of hot water and then cooled slowly. After about 1 hour, this orange solution produced long dark needles with a yellow supernatant. Vacuum filtration, cold water wash and air drying gave long shiny dark red needles (1.14 g, 81% recovery, 65% overall yield, n.m.pt. 383C). Slow evaporation of the combined filtrate and wash eventually grew additional needles several cm long. The NIVIR of the recrystallized product coincides with that reported by (see Gries et al., Ann Chem 1021-1028 (1991)) for the hexafluorophosphate salt of the same triazinium cation. 1H-NIVIR (400 MHz, [D6] DMSO) = 9.48 (d, 6H, 2-H, 2?-H, 2?-H, 6-H, 6?-H, 6?-H), 9.36 (d, 6H, 3-H, 3?-H, 3?-H, 5-H, 5?-H, 5?-H), 4.50 (s, 9H, 1-H, 13?-H, 13?-H).
  • 60
  • [ 42333-78-8 ]
  • [ 34652-14-7 ]
  • [ 7697-37-2 ]
  • silver nitrate [ No CAS ]
  • Pt6((C5H4N)2)6((C5H4N)3(C3N3))4(12+)*12NO3(1-)=[Pt6((C5H4N)2)6((C5H4N)3(C3N3))4](NO3)12 [ No CAS ]
YieldReaction ConditionsOperation in experiment
39% To a mixture of [Pt(bpy)Cl2] (124 mg, 0.29 mmol) and silvernitrate (100 mg, 0.59 mmol) was added 3 mL water, and the suspensionwas heated at 80 C for 3 h with protection from light.The resulting suspension was filtered, and the clear aqueous solutionwas added to the ligand (61 mg, 0.20 mmol). The suspensionwith a final volume of 10 mL was heated at 100 C for 40 min,and 50 lL 70% HNO3 and 1-adamantane carboxylic acid (35 mg,0.20 mmol) were added. The mixture was further heated at 80 Covernight and then was cooled down to R.T. 1-Adamantane carboxylicacid was removed by extraction with CHCl3 (4 10 mL),and the aqueous solution was evaporated to dryness at 55 C underreduced pressure. The solid residue was redissolved in 10 mLwater, and the mixture was filtered via a 0.2 lm syringe filter. Tothe clear solution was added 40 lL of 70% HNO3 slowly with stirringat 0 C. Upon addition of HNO3, a white precipitate formedimmediately. The product was collected by centrifugation, washedwith acetone, and dried in vacuum. Yield: 130 mg, 39%. 1H NMR(400 MHz, D2O) d 9.42 (d, J = 6.8 Hz, 24H), 8.88 (d, J = 6.8 Hz,24H), 8.48 (d, J = 8.4 Hz, 12H), 8.41 (t, J = 7.6 Hz, 12H), 7.93(d, J = 5.6 Hz, 12H), 7.60 (t, J = 6.4 Hz, 12H); DOSY NMR(400 MHz, DMSO-d6, R.T.): Ddiff = 7.8 1011 m2/s and r = 1.4 nm.
  • 61
  • [ 42333-78-8 ]
  • [Pt(dien)Cl]Cl·HCl [ No CAS ]
  • silver nitrate [ No CAS ]
  • C30H51N15Pt3(6+)*6NO3(1-) [ No CAS ]
YieldReaction ConditionsOperation in experiment
83% 0.5 mmoles of monodentate platinum ligand [Pt (dien) Cl] Cl HCl was dissolved in 6 ml of water,Under the protection of nitrogen, 1.5 mmol of silver nitrate was added to the dark,45 degrees stirring 36 hours, after the reaction is completed,Centrifugal abandon the precipitation, keep the night;To the above supernatant was added 0.15 millimoles of bridged ligand,The whole reaction was carried out at 90 for 3 days under nitrogen protection,After completion of the reaction, an appropriate amount of anhydrous ethanol was added to the reaction solution to precipitate a pale yellow solid,Centrifuge to give a pale yellow solid which was dried in vacuo. Yield: 83%. Elemental analysis(%),
  • 62
  • [ 67-56-1 ]
  • [ 42333-78-8 ]
  • [ 3017-60-5 ]
  • [ 95-50-1 ]
  • [(Co(NCS)2)3(2,4,6-tris(4-pyridyl)-1,3,5-triazine)4]*25(o-C6H4Cl2)*5(MeOH) [ No CAS ]
YieldReaction ConditionsOperation in experiment
52% at 20℃; for 48h; 6.3 mg of TPT was dissolved in 5 mE of a i,2-dichlo- robenzene/methanol (volume ratio: 4:1) mixture in a test tube. A solution prepared by dissolving 7.0 mg of cobalt(II)thiocyanate in 1 mE of methanol was slowly added to theabove solution, and the solutions separated in two layerswere allowed to stand at room temperature for 2 days.An orange crystal that precipitated on the wall of the test tube was filtered oil to obtain 9.9 mg of a polymer-metal complex (yield: 52%).The resulting polymer-metal complex was subjected toelemental analysis and X-ray single crystal structural analysis, and found to be (TPT)4{Co(SCN)2}3(C12C5H4)25(MeOH)5 having the same structure as that illustrated in FIG. 4. The polymer-metal complex included twenty-five1 ,2-dichlorobenzene molecules and five methanol moleculesper regular octahedral structural unit.Elemental Analysis ResultsFound: C, 49.60%; H, 2.92%; N, 7.43%.Cald.: C, 49.89%; H, 3.02%; N, 7.48%.X-Ray Single Crystal Structural Analysis Results Lattice constant: a=b=c=37.599 A, cubic, space group: Fm-3
  • 63
  • [ 42333-78-8 ]
  • cobalt(II) nitrate hexahydrate [ No CAS ]
  • [ 4282-31-9 ]
  • [ 68-12-2 ]
  • [Co4(TDA)3(HCOO)2(2,4,6-tris(4-pyridyl)-1,3,5-triazine)2(N,N-dimethylformamide)2].4N,N-dimethylformamide.2H2O}n [ No CAS ]
YieldReaction ConditionsOperation in experiment
46% at 120℃; for 72h;Autoclave; A mixture of H2TDA (0.3mmol, 0.0510g), Co(NO3)2·6H2O (0.3mmol, 0.0873g) and TPT (0.2mmol, 0.0625g) in 4mL DMF was sealed in a 23mL Teflon-lined stainless autoclave and heated at 120C for 3days and subsequently cooled to room temperature at a rate of 4.0Ch-1. Brown block crystals of 1 were collected by washing with DMF and dried in air. Yield: 46% based on Co. Anal. Calc. for C74H78N18O24S3Co4: C, 45.92; N, 13.03; H, 4.06. Found: C, 45.69; N, 12.87; H, 4.42%. IR (KBr, cm-1): 3273m, 3058w, 1668m, 1610vs, 1506vs, 1358vs, 1063w, 811s, 641s, 500m.
  • 64
  • [ 553-90-2 ]
  • [ 42333-78-8 ]
  • nickel(II) chloride hexahydrate [ No CAS ]
  • [Ni3(C2O4)3(2,4,6-tris(4-pyridyl)-1,3,5-triazine)2] [ No CAS ]
  • 65
  • [ 42333-78-8 ]
  • [ 50475-22-4 ]
  • 12NO3(1-)*12C18H12N6*6C2H8N2*6Pt(2+) [ No CAS ]
  • 66
  • [ 42333-78-8 ]
  • cobalt(II) nitrate hexahydrate [ No CAS ]
  • [ 63557-10-8 ]
  • [ 68-12-2 ]
  • 2C24H15N6O6(3-)*2C18H12N6*3Co(2+)*C3H7NO*14H2O [ No CAS ]
  • 67
  • [ 42333-78-8 ]
  • [ 554-95-0 ]
  • copper dichloride [ No CAS ]
  • C9H3O6(3-)*2C18H12N6*2Cu(2+)*Cl(1-) [ No CAS ]
YieldReaction ConditionsOperation in experiment
A mixture of anhydrous CuCl2 (0.2 mmol), 1,3,5-benzenetricarboxylicacid (0.05 mmol) and 2,4,6-tris(4-pyridyl)-1,3,5-triazine(0.05 mmol) were dissolved in 2.5 mL DMF and 2.5 mL distilled waterin 20 mL EPA glass vial with PTFE cap and were sonicated for 20 min.2 mL of methanol was added to this solution and sonicated for 10 min.0.3 mL of aqueous ammonia was added dropwise to the solution andsonicated for 10 min which was then sealed with Teflon and heated to 373 K for 72 h in an oven followed by slow cooling to room temperatureover 4 h at a cooling rate 0.3 K/min. The rod-shaped green crystals were washed thoroughly with DMF followed by methanol and dried in a vacuum oven for 12 h at 373 K.
  • 68
  • [ 42333-78-8 ]
  • potassium hexacyanoferrate(III) trihydrate [ No CAS ]
  • [ 7732-18-5 ]
  • (tptzH3)[Fe(CN)6].3H2O [ No CAS ]
YieldReaction ConditionsOperation in experiment
32% With hydrogenchloride; calcium chloride; In dimethyl sulfoxide; N,N-dimethyl-formamide; at 20℃; for 120h; In a solution containing 5 mL DMF, 1 mL DMSO, 0.5 mL concentratedHCl, and 0.150 g (0.48 mmol) tptz added an aqueous solution(8 mL) of Na4[Fe(CN)6]10H2O (0.233 g, 0.48 mmol) and the resulting blue solution was placed uncovered in a desiccator containing anhydrous CaCl2. Blue crystals were formed after five days.Yield: 32%. Anal. Calc. for C54H56Fe3N30O10 (fw = 1452.75): C, 44.64;H, 3.89; N, 28.92. Found: C, 44.12; H, 4.00; N, 28.61%. IR (KBr,cm1): 3462 mb, 3051 w, 2662 b, 2057 s, 2042 s, 1526 s, 1469mw, 1434 w, 1373 s, 1000 m, 760 s.
  • 69
  • [ 42333-78-8 ]
  • potassium hexacyanoferrate(III) trihydrate [ No CAS ]
  • [ 7732-18-5 ]
  • (tptzH3)[Fe(CN)6]·3H2O [ No CAS ]
YieldReaction ConditionsOperation in experiment
39% With hydrogenchloride; calcium chloride; In dimethyl sulfoxide; N,N-dimethyl-formamide; at 20℃; for 72h; Compound 8 was prepared with the same manner as 7, using K3[Fe(CN)6]3H2O (0.184 g, 0.48 mmol) as the anion source. Dark yellowish orange crystals was formed after 3 days in the desiccator.Yield: 39%. Anal. Calc. for C24H21FeN12O3 (fw = 581.35): C,49.58; H, 3.64; N, 28.91. Found: C, 49.02; H, 3.78; N, 28.36%. IR(KBr, cm-1): 3435 mb, 3049 w, 2572 b, 2048 s, 1528 s, 1466 mw,1436 w, 1369 s, 1001 m, 762 s.
  • 70
  • [ 42333-78-8 ]
  • [BW11O39Co](6-)*3Ba(2+)*H2O [ No CAS ]
  • [ 7732-18-5 ]
  • 9Ba(2+)*C18H12N6*38H2O*B3Co3O117W33(18-) [ No CAS ]
  • 71
  • [ 74-96-4 ]
  • [ 42333-78-8 ]
  • 1,1’,1“-triethyl-4,4‘,4”-(1,3,5-triazin-2,4,6-triyl)tripyridinium trisbromide [ No CAS ]
YieldReaction ConditionsOperation in experiment
28% In N,N-dimethyl-formamide; at 160℃; for 0.666667h;Sealed tube; Microwave irradiation; <strong>[42333-78-8]2,4,6-tri(4-pyridyl)-1,3,5-triazine</strong> was placed in a GlassChem Microwave reaction vessel (105 mg, 3.34x104 mols) with ethyl bromide (0.5 mL, 6.7x103 mols) and 10 mL of DMF as the solvent. Three tubes were set up with the same parameters for a total of 315 mg of compound 1. Two blank tubes were run. The unreacted solution was white and turbid. Tubes were sealed and placed into a turntable inside a Mars 6 reaction microwave. The microwave was run at 600 Watts with a 20-minute ramp to 160 C and a 20-minute hold time. The product was isolated via suction filtration and washed with cold diethyl ether. The olive green crude product was recrystallized in an azeotrope of isopropanol and water yielding a light olive green needlelike crystals. 187 mg (28% yield) of 1,1,1-triethyl-4,4,4-(1,3,5-triazin-2,4,6- triyl)tripyridinium trisbromide was obtained.
  • 72
  • [ 42333-78-8 ]
  • [(η6-p-cymene)RuCl(1,4-bis(dipyrrin-5-yl)benzene)0.5]2 [ No CAS ]
  • [ 2923-28-6 ]
  • C168H156N24Ru6(6+)*3CF3O3S(1-) [ No CAS ]
YieldReaction ConditionsOperation in experiment
68% A mixture of the dinuclear complex 1 (0.06 mmol, 58.6 mg) and AgCF3SO3 (0.20 mmol, 51.38 mg) was stirred in 15 mL of CH2Cl2/CH3OH (1:1) for 4 h in the dark at room temperature. AgCl was filtered off, and the solvent was removed under reduced pressure. The residue and TPT (0.05 mmol, 15.6 mg)was added to a Schlenk flask, and the mixture was stirred in 15 mLof CH3OH for 24 h at 60 C under a nitrogen atmosphere. The mixture was filtered, and the solvent was evaporated to 2mL under reduced pressure. Then, diethyl ether was added, precipitated, and collected by filtration to afford a red brown solid. Yield: 68%(57.6 mg). 1H NMR (500 MHz, CD3OD) delta (ppm) 8.68 (s, 12H, pyrrole-Ha),8.61 (d, J = 5.5 Hz, 12H, dipyridy-Ha), 8.51 (d, J = 5.0 Hz,12H, dipyridy-Hb), 7.38 (s, 6H, Ph-H), 6.73 (d, J = 3.5 Hz, 12H,pyrrole-Hb), 6.64 (s, 6H, Ph-H), 6.52 (d, J = 3.0 Hz, 12H, pyrrole-Hc),6.34 (d, J = 5.5 Hz, 12H, p-cymene-H), 5.92 (d, J = 6.0 Hz,12H, p-cymene-H), 2.51-2.45 (m, 6H, CH(CH3)2), 1.77 (s, 18H,Ph-CH3), 1.04 (d, J = 7.0 Hz, 36H, CH3). ESI-MS: calcd for C171H156F9N24O9Ru6S3 [M3e3CF3SO3]3+: 1188.52, found: 1188.52.
  • 73
  • [ 42333-78-8 ]
  • [ 559-40-0 ]
  • C23H12F4N6O2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
3% With water; In tetrahydrofuran; at 0 - 20℃; 2,4,6-tri(4-pyridyl)-1 ,3,5-triazine was synthesised based on the paper J. Wang, F. Xu, T. Cai, Q. Shen, Org. Lett. 2008, 10, 445-448. A solution of 2,4,6-tri(4- pyridyl)-1 ,3,5-triazine (200 mg, 0.639 mmol) in 8 ml THF and 1 ml water stirred for 5 mins at 0 C followed by the addition of octafluorocyclopentene (400 mg, 1 .92 mmol, 7.8 % in THF). The solution was then stirred at 0 C for a further 20 minutes before being allowed to warm to room temperature and stirred overnight. The solution was then extracted with ethyl acetate, dried with MgSO4, filtered, and solvent removed in vacuo. The crude product was purified using column chromatography (silica, hexane: ethyl acetate, 20 % to 100 % ethyl acetate gradient flow) to give 10 mg product as red solid in 3 % yield. 1H NMR (400 MHz, (CD3)2CO) delta 10.1 1 (d, J = 7.14 Hz, 2H), 9.55 (d, J = 6.85 Hz, 2H), 8.98 (d, J = 5.98 Hz, 4H), 8.74 (d, J = 4.41 Hz ,4H), 7.32 (m, 1 H). 19F NMR (400 MHz, CDCI3) delta =-127.95. Selected IR data (KBr, cm"1): 3445(s), 2960(w), 2921 (w), 2853(w), 1626(s), 151 1 (m), 1452(w), 1372(m), 1332(w), 1257(w), 1205(w), 1 122(m), 1058(m), 1019(m), 804(w), 638(w), 534(w). MS (ESI+): m/z 481 .0983.
  • 74
  • [ 42333-78-8 ]
  • cadmium(II) nitrate tetrhydrate [ No CAS ]
  • poly[[bis(nitrato-κ2O,O')cadmium(II)] μ3-2,4,6-tris(pyridin-4-yl)-1,3,5-triazine-κ3N2:N4:N6] [ No CAS ]
YieldReaction ConditionsOperation in experiment
38% A mixture of Cd(NO3)2*4H2O (0.1 mmol, 0.0308 g), tpt(0.1 mmol, 0.0312 g), methanol (4 ml) and N,N-dimethylacetamide (DMA; 4 ml) was stirred for 30 min in air, then transferred to and sealed in a 23 ml Teflon lined autoclave, which was heated in an oven to 373 K for 72 h, and thencooled to room temperature at a rate of 10 C h-1. Yellow block-shaped crystals of compound (1) suitable for X-raydiffraction analysis were obtained (yield 38%, based on tpt).The purity of the sample was confirmed by comparing the observed powder X-ray diffraction pattern to that simulatedfrom the single crystal Xray diffraction data. Analysis calculated for C18H12CdN8O6 (%): C 39.36, H 2.18, N 20.41;found: C 39.67, H 2.21, N 20.14. IR data (KBr, cm-1): 3057(m), 1656 (m), 1619 (s), 1571 (s), 1514 (s), 11452 (s), 1385 (s),1294 (s), 1214 (s), 1062 (s), 1018 (s), 805 (s), 733 (m), 652 (s),509 (s).
  • 75
  • [ 42333-78-8 ]
  • cobalt(II) nitrate hexahydrate [ No CAS ]
  • [ 1256375-35-5 ]
  • [ 68-12-2 ]
  • [Co(5-((triisopropylsilyl)ethynyl)isophthalic acid)(2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)2/3]*2DMF*H2O [ No CAS ]
YieldReaction ConditionsOperation in experiment
85% In water; at 100℃; for 50h; [Co(TEPA)(TPT)2/3]·2DMF·H2O (1): Co(NO3)2·6H2O (10.0 mg, 0.034 mmol), H4TEPA (5 mg, 0.0170 mmol) and TPT (5 mg, 0.0170mmol) were dissolved in 5 mL mixed solvents of DMF and H2O (v/v = 1:1) in a sealed tube, then heated at 100 oC for 50 h gaving rise tolarge amount ofl light purple crystals of 1 (85% based on H4TEPA). Elemental Anal. Calcd. for 1: C, 54.00%; H, 6.94%; N, 14.40%;Found: C, 54.09%; H, 6.99%; N, 13.29%.
  • 76
  • [ 42333-78-8 ]
  • [ 432025-97-3 ]
  • cobalt(II) nitrate tetrahydrate [ No CAS ]
  • [ 68-12-2 ]
  • [Co(5-ethynylisophthalic acid)(2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)]*1.5DMF*1.5H2O [ No CAS ]
YieldReaction ConditionsOperation in experiment
80% In water; at 100℃; for 50h; [Co (EPA)(TPT)]·1.5DMF·1.5H2O (2): Co(NO3)2·4H2O (3.4 mg, 0.012 mmol), H4EPA (6 mg, 0.0429 mmol) and TPT (5.5 mg, 0.0170mmol) were dissolved in 5 mL mixed solvents of DMF and H2O (v/v = 1:1) in a sealed tube, then heated at 100 oC for 50 h gaving rise topale yellow crystals of 2 (80% based on H4EPA). Elemental Anal. Calcd. for 2: C, 55.80%; H, 4.43%; N, 15.02%; Found: C, 55.69%; H,4.46%; N, 14.92%.
  • 77
  • [ 42333-78-8 ]
  • [ 100-26-5 ]
  • iron(II) chloride tetrahydrate [ No CAS ]
  • 6C7H3NO4(2-)*3C18H12N6*5Fe(2+)*HO(1-)*Fe(3+) [ No CAS ]
  • 78
  • indium(III) chloride [ No CAS ]
  • [ 42333-78-8 ]
  • cobalt(II) chloride hexahydrate [ No CAS ]
  • [ 100-21-0 ]
  • 0.8HO(1-)*0.2O(2-)*1.2In(3+)*1.8Co(2+)*3C8H4O4(2-)*C18H12N6 [ No CAS ]
  • 79
  • [ 553-26-4 ]
  • [ 42333-78-8 ]
  • [ 224195-09-9 ]
  • [ 35895-70-6 ]
  • cis-[(Pt-(2,6-diphenylpyridine))6(4,4′-bipyridine)3(1,3,5-tris(4-pyridyl)triazine)2](OTf)6 [ No CAS ]
  • 80
  • [ 553-26-4 ]
  • [ 42333-78-8 ]
  • [ 224195-09-9 ]
  • [ 35895-70-6 ]
  • trans-[(Pt-(2,6-diphenylpyridine))6(4,4′-bipyridine)3(1,3,5-tris(4-pyridyl)triazine)2](OTf)6 [ No CAS ]
  • 81
  • [ 42333-78-8 ]
  • zinc(II) nitrate hexahydrate [ No CAS ]
  • [ 605-70-9 ]
  • [ 191-07-1 ]
  • C12H6O4(2-)*0.33C24H12*0.33C18H12N6*Zn(2+) [ No CAS ]
  • 82
  • [ 42333-78-8 ]
  • nickel(II) chloride hexahydrate [ No CAS ]
  • [ 121-91-5 ]
  • [ 7732-18-5 ]
  • Ni4(tris(4-pyridyl)triazine)4(m-benzenedicarboxylate)4·H2O [ No CAS ]
YieldReaction ConditionsOperation in experiment
65.3% In acetonitrile; at 160℃; for 72h;High pressure; NiCl2·6H2O (0.045mmol, 0.011g), tpt (0.03mmol, 0.0094g) and m-H2bdc (0.03mmol, 0.0051g) were dissolved in a mixed solvent containing H2O and MeCN (6mL, 4:5). Then, the reaction mixture was added into Teflon lined reactor (20mL) and heated at 160C for 72h. After cooling to room temperature, green block crystals were obtained by filtration. The yield of obtained crystals was 65.3% based on tpt. Analysis calcd (%) for C104H66N24Ni4O17: C 57.87%; H 3.06%; N 15.57%. Found: C 56.66%; H 4.02%; N 14.13%. IR (KBr pellet, cm-1): 3071 (w), 2318 (w), 1642 (m), 1573 (w), 1521 (s), 1374 (s), 1061 (m), 1026 (m), 810 (m), 776 (m), 663 (m), 516 (m).
  • 83
  • [ 67-56-1 ]
  • [ 42333-78-8 ]
  • bismuth(III) iodide [ No CAS ]
  • [ 10034-85-2 ]
  • [ 7681-11-0 ]
  • 2C21H21N6(3+)*Bi6I24(6-) [ No CAS ]
YieldReaction ConditionsOperation in experiment
59% A mixture of BiI3 (0.059g, 0.10mmol), TPT (0.021g, 0.065mmol), KI (0.083g, 0.5mmol), HI (0.20mL, 45%), CH3OH (5.0mL) and H2O (1.0mL) was sealed in 25mL Teflonlined autoclave, stirred for about 2h and heated at 145C for 7days, then cooled to room temperature slowly. Red crystals of 1 were received (59% yield based on TPT). Calcd for C42H42N12Bi6I24 (fw 5014.35): C, 10.06%; H, 0.84%; N, 3.35%. Found: C, 10.11%; H, 0.82%; N, 3.41%. IR (KBr, cm-1): 3435(s), 2934(w), 2358(w), 1640(m), 1390(m), 1089(m), 604(w) (Fig. S1).
  • 84
  • [ 7647-01-0 ]
  • [ 67-56-1 ]
  • [ 42333-78-8 ]
  • bismuth(III) iodide [ No CAS ]
  • C21H21N6(3+)*3H2O*BiCl6(3-) [ No CAS ]
YieldReaction ConditionsOperation in experiment
52% General procedure: A mixture of BiI3 (0.059g, 0.10mmol), TPT (0.021g, 0.065mmol), KI (0.083g, 0.5mmol), HI (0.20mL, 45%), CH3OH (5.0mL) and H2O (1.0mL) was sealed in 25mL Teflonlined autoclave, stirred for about 2h and heated at 145C for 7days, then cooled to room temperature slowly.
  • 85
  • [ 42333-78-8 ]
  • cadmium(II) nitrate tetrhydrate [ No CAS ]
  • Cd(2+)*C18H12N6*2NO3(1-) [ No CAS ]
YieldReaction ConditionsOperation in experiment
In N,N-dimethyl-formamide; at 90℃; for 72h; For 3, a mixture of Cd(NO3)24H2O (0.25 mmol, 0.077 g) and TPT (0.25 mmol, 0.078 g)was added into a glass bottle containing 10 mL of DMF solution, then the mixture washeated at 90 C for 3 days. After cooling to room temperature, light yellow crystalswere obtained, washed with MeOH and dried in air. Anal. Calcd. for C18H12CdN8O6: C,39.39; H, 2.20; N, 20.42%. Found: C, 39.21; H, 2.45; N, 20.38%.
  • 86
  • [ 42333-78-8 ]
  • nickel(II) nitrate hexahydrate [ No CAS ]
  • [ 7732-18-5 ]
  • [ 68-12-2 ]
  • [ 156750-08-2 ]
  • [Ni2(5-((3,5-dicarboxybenzyl)oxy)isophthalate)(2,4,6-tri(-pyridin-4-yl)-1,3,5-triazine)(H2O)2](DMF)2}n [ No CAS ]
YieldReaction ConditionsOperation in experiment
With nitric acid; at 110℃; for 24h;pH 6.0;High pressure; The compound was synthesized by the solvothermalmethod. To a H2O-DMF (v/v1:1, 10 mL) solution ofH4L1 (20 mg, 0.05 mmol), L2 (17 mg, 0.05 mml) andNi(NO3)26H2O (0.031 g, 0.1 mmol) was added. The mixturewas stirred thoroughly for 30 min at ambient temperature,and then HNO3 (40 lL) was added to adjust the pH of themixture to 6.0. The resulting mixture was placed in a stainlesssteel Teflon-lined reaction vessel (25 mL), and heated to110 C for 24 h, giving rod-like green crystals suitable for Xraycrystallography. Anal. Calcd for C41H38N8Ni2O13: C,50.86; H, 3.96; N, 11.57; %. Found: C, 50.96; H, 3.86;N. 11.50%.
  • 87
  • [ 42333-78-8 ]
  • aqueous cadmium chloride [ No CAS ]
  • Cd3Cl12(6-)*2C18H15N6(3+) [ No CAS ]
  • 88
  • [ 42333-78-8 ]
  • vanadium(III) chloride [ No CAS ]
  • [ 605-70-9 ]
  • [ 7646-79-9 ]
  • 3C12H6O4(2-)*C18H12N6*2Co(2+)*V(3+)*HO(1-) [ No CAS ]
Same Skeleton Products
Historical Records