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[ CAS No. 2089-89-6 ] {[proInfo.proName]}

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Chemical Structure| 2089-89-6
Chemical Structure| 2089-89-6
Structure of 2089-89-6 * Storage: {[proInfo.prStorage]}
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Product Details of [ 2089-89-6 ]

CAS No. :2089-89-6 MDL No. :MFCD00060862
Formula : C12H8O4 Boiling Point : -
Linear Structure Formula :- InChI Key :WPUMVKJOWWJPRK-UHFFFAOYSA-N
M.W : 216.19 Pubchem ID :11790598
Synonyms :

Calculated chemistry of [ 2089-89-6 ]

Physicochemical Properties

Num. heavy atoms : 16
Num. arom. heavy atoms : 10
Fraction Csp3 : 0.0
Num. rotatable bonds : 2
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 57.87
TPSA : 74.6 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.62 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.1
Log Po/w (XLOGP3) : 2.81
Log Po/w (WLOGP) : 2.24
Log Po/w (MLOGP) : 2.19
Log Po/w (SILICOS-IT) : 1.73
Consensus Log Po/w : 2.01

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -3.28
Solubility : 0.113 mg/ml ; 0.000523 mol/l
Class : Soluble
Log S (Ali) : -4.03
Solubility : 0.02 mg/ml ; 0.0000925 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -2.83
Solubility : 0.321 mg/ml ; 0.00149 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.0

Safety of [ 2089-89-6 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 2089-89-6 ]

* 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 [ 2089-89-6 ]

[ 2089-89-6 ] Synthesis Path-Downstream   1~38

  • 2
  • [ 2089-89-6 ]
  • <i>N</i>,<i>N</i>'-diphenyl-naphthalene-2,7-dicarboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
With phosphorus pentachloride Aus dem entstehenden Chlorid und heissem Anilin;
  • 3
  • [ 39718-11-1 ]
  • [ 2089-89-6 ]
YieldReaction ConditionsOperation in experiment
With pentylalcoholic potash
  • 4
  • [ 91-20-3 ]
  • [ 67-63-0 ]
  • [ 2089-89-6 ]
YieldReaction ConditionsOperation in experiment
With sulfuric acid nachfolgend Kochen mit Salpetersaeure;
  • 5
  • [ 2089-89-6 ]
  • [ 23786-32-5 ]
  • 5,7,5',7'-tetrakis-(1,1-dimethyl-propyl)-2,2'-naphthalene-2,7-diyl-bis-benzooxazole [ No CAS ]
YieldReaction ConditionsOperation in experiment
(i) SOCl2, DMF, (ii) /BRN= 2844875/, chlorobenzene, (iii) (heating under reduced pressure); Multistep reaction;
  • 7
  • [ 2089-89-6 ]
  • [ 143-15-7 ]
  • naphthalene-2,7-dicarboxylic acid didodecyl ester [ No CAS ]
YieldReaction ConditionsOperation in experiment
12% With 1,8-diazabicyclo[5.4.0]undec-7-ene In tetrahydrofuran Heating;
  • 8
  • [ 2089-89-6 ]
  • [ 91-20-3 ]
  • [ 124-38-9 ]
YieldReaction ConditionsOperation in experiment
beim Gluehen;
YieldReaction ConditionsOperation in experiment
2,7-Dibromnaphthalin, n-Butyllithium, CO2;
2,7-Dicyannaphthalin, H2SO4;
  • 10
  • [ 58556-75-5 ]
  • [ 124-38-9 ]
  • [ 2089-89-6 ]
  • 11
  • [ 201230-82-2 ]
  • [ 582-17-2 ]
  • [ 2089-89-6 ]
YieldReaction ConditionsOperation in experiment
Stage #1: 2,7-Dihydroxynaphthalene With pyridine; trifluoromethylsulfonic anhydride Stage #2: carbon monoxide With methanol Stage #3: With sodium hydroxide
  • 12
  • [ 2089-89-6 ]
  • [ 933794-26-4 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: thionyl chloride / 12 h / Heating 2.1: CuBr*SMe2 / tetrahydrofuran; pentane / 0.5 h / -50 °C 2.2: 0.945 g / tetrahydrofuran; pentane / -50 - 20 °C
  • 13
  • [ 2089-89-6 ]
  • [ 933794-31-1 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1.1: thionyl chloride / 12 h / Heating 2.1: CuBr*SMe2 / tetrahydrofuran; pentane / 0.5 h / -50 °C 2.2: 0.945 g / tetrahydrofuran; pentane / -50 - 20 °C 3.1: n-BuLi / tetrahydrofuran; hexane / 0 °C 3.2: 95 percent / tetrahydrofuran; hexane / 0 - 20 °C 4.1: 80 percent / Et3SiH; CF3CO2H / CH2Cl2 / 0.17 h / 20 °C
  • 14
  • [ 2089-89-6 ]
  • [ 933794-29-7 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: thionyl chloride / 12 h / Heating 2.1: CuBr*SMe2 / tetrahydrofuran; pentane / 0.5 h / -50 °C 2.2: 0.945 g / tetrahydrofuran; pentane / -50 - 20 °C 3.1: n-BuLi / tetrahydrofuran; hexane / 0 °C 3.2: 95 percent / tetrahydrofuran; hexane / 0 - 20 °C
  • 15
  • [ 2089-89-6 ]
  • [ 39718-11-1 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: thionyl chloride / 3 h / Heating 2: ammonia / CH2Cl2 / -78 - 20 °C 3: 50 mg / thionyl chloride / 18 h / Heating
Multi-step reaction with 2 steps 1: ammonium / 0.5 h / Heating 2: phosphorus pentoxide / 1 h / 15 - 37.5 Torr / Heating
  • 16
  • [ 2089-89-6 ]
  • 2,7-naphthalenedicarboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: thionyl chloride / 3 h / Heating 2: ammonia / CH2Cl2 / -78 - 20 °C
With ammonia derivative at 260℃; for 0.5h; amide intermediate preparation examples General procedure: In 1L reactor was added 500g of carboxylic acid raw material (chemically pure), And charged with 1.3 moles of ammonia (water content: 0.5% by weight, industrial product) having a mole number of the carboxyl group contained in the carboxylic acid raw material, Or ammonium hydrogen carbonate powder (chemically pure) having a mole number of ammonium ions of 1.4 times the carboxyl group contained in the carboxylic acid starting material, The reaction kettle was closed and the stirrer was turned on (600r / min). After the reaction was allowed to proceed at a reaction temperature of TA for TC hours, The contents of the reactor were sampled and subjected to 1H NMR and elemental analysis to characterize the amide intermediate. The specific reaction conditions and characterization results are shown in Table A-1, Table A-2, Table A-3 and Table A-4 below. These characterization results indicate that the amide intermediate obtained has an extremely high purity (99% or more).
With ammonium for 0.5h; Heating; Amide Intermediate Preparation Example General procedure: In a 1L reactor, 500 g of a carboxylic acid feed (chemically pure) and NH3 moles were added to the carboxyl groups of the carboxylic acid starting material.1.4 times of ammonia (NH3 content is 25wt%, industrial product) or the number of moles of ammonium ion is 1.6 of the carboxyl group contained in the carboxylic acid raw material.The aqueous solution of ammonium hydrogencarbonate (having a concentration of ammonium bicarbonate of 30 wt%) was sealed and the reaction vessel was closed and the stirring was turned on (600 r/min). Make the reactionAfter TC hours at the reaction temperature Τα, the contents of the reactor were sampled for nuclear magnetic resonance and elemental analysis to characterize the acyl group.Amine intermediates. Specific reaction conditions and characterization results are shown in Table A-1, Table A-2, Table A-3 and Table A-4 below. These characterization resultsIt shows that the obtained amide intermediate has a very high purity (above 99%).
With ammonia at 265℃; for 0.5h; Amide Intermediate Preparation Example General procedure: 500 g of carboxylic acid raw material (chemically pure) was added to a 1 L open reactor and stirring was turned on (600 r/min).Ammonia gas was continuously introduced into the carboxylic acid feed from the bottom of the reactor (chemical purity, water content 5.1 wt%, flow rate 100 g/min). After the reaction was allowed to proceed for TC hours at the reaction temperature TA, ammonia gas flow was stopped. The contents of the reactor were sampled and nuclear magnetic proton spectra and elemental analysis were performed to characterize the amide intermediate. Specific reaction conditions and characterization results are shown in Table A-1, Table A-2, Table A-3 and Table A-4 below. These characterization results show that the amide intermediates obtained have a very high purity (above 99%).

  • 17
  • [ 2089-89-6 ]
  • [ 179756-49-1 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1: thionyl chloride / 3 h / Heating 2: ammonia / CH2Cl2 / -78 - 20 °C 3: 50 mg / thionyl chloride / 18 h / Heating 4: 34 percent / diisobutylaluminum hydride / CH2Cl2; hexane / 0.25 h / -78 °C
  • 18
  • [ 2089-89-6 ]
  • [ 221246-95-3 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1.1: thionyl chloride / 3 h / Heating 2.1: ammonia / CH2Cl2 / -78 - 20 °C 3.1: 50 mg / thionyl chloride / 18 h / Heating 4.1: diisobutylaluminum hydride / CH2Cl2; hexane / 0.5 h / -78 °C 4.2: 23 percent / sodium borohydride / CH2Cl2; tetrahydrofuran; methanol / 0 - 20 °C
Multi-step reaction with 3 steps 1: ammonium / 0.5 h / Heating 2: phosphorus pentoxide / 1 h / 15 - 37.5 Torr / Heating 3: hydrogen / ethanol / 1 h / 100 °C / 60006 Torr
  • 19
  • [ 2089-89-6 ]
  • (7-aminomethyl-naphthalen-2-ylmethyl)-carbamic acid <i>tert</i>-butyl ester [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 6 steps 1.1: thionyl chloride / 3 h / Heating 2.1: ammonia / CH2Cl2 / -78 - 20 °C 3.1: 50 mg / thionyl chloride / 18 h / Heating 4.1: diisobutylaluminum hydride / CH2Cl2; hexane / 0.5 h / -78 °C 4.2: 23 percent / sodium borohydride / CH2Cl2; tetrahydrofuran; methanol / 0 - 20 °C 5.1: sodium hydroxide / CH2Cl2 / 0.5 h / 20 °C 5.2: 29 percent / CH2Cl2 / 0.5 h / 20 °C 6.1: H2 / Pd/C / ethyl acetate; methanol / 1 h / 20 °C
  • 20
  • [ 2089-89-6 ]
  • [ 473220-09-6 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 5 steps 1.1: thionyl chloride / 3 h / Heating 2.1: ammonia / CH2Cl2 / -78 - 20 °C 3.1: 50 mg / thionyl chloride / 18 h / Heating 4.1: diisobutylaluminum hydride / CH2Cl2; hexane / 0.5 h / -78 °C 4.2: 23 percent / sodium borohydride / CH2Cl2; tetrahydrofuran; methanol / 0 - 20 °C 5.1: sodium hydroxide / CH2Cl2 / 0.5 h / 20 °C 5.2: 29 percent / CH2Cl2 / 0.5 h / 20 °C
  • 21
  • [ 2089-89-6 ]
  • [ 473220-10-9 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 5 steps 1.1: thionyl chloride / 3 h / Heating 2.1: ammonia / CH2Cl2 / -78 - 20 °C 3.1: 50 mg / thionyl chloride / 18 h / Heating 4.1: 34 percent / diisobutylaluminum hydride / CH2Cl2; hexane / 0.25 h / -78 °C 5.1: toluene / 4 h / Heating 5.2: 11 mg / sodium borohydride / methanol; toluene / 0.17 h / 0 °C
Multi-step reaction with 7 steps 1.1: thionyl chloride / 3 h / Heating 2.1: ammonia / CH2Cl2 / -78 - 20 °C 3.1: 50 mg / thionyl chloride / 18 h / Heating 4.1: diisobutylaluminum hydride / CH2Cl2; hexane / 0.5 h / -78 °C 4.2: 23 percent / sodium borohydride / CH2Cl2; tetrahydrofuran; methanol / 0 - 20 °C 5.1: sodium hydroxide / CH2Cl2 / 0.5 h / 20 °C 5.2: 29 percent / CH2Cl2 / 0.5 h / 20 °C 6.1: H2 / Pd/C / ethyl acetate; methanol / 1 h / 20 °C 7.1: toluene / 4 h / Heating 7.2: 11 mg / sodium borohydride / methanol; toluene / 0.17 h / 0 °C
  • 22
  • [ 2089-89-6 ]
  • (7-[(7-aminomethyl-naphthalen-2-ylmethyl)-amino]-methyl}-naphthalen-2-ylmethyl)-carbamic acid <i>tert</i>-butyl ester [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 6 steps 1.1: thionyl chloride / 3 h / Heating 2.1: ammonia / CH2Cl2 / -78 - 20 °C 3.1: 50 mg / thionyl chloride / 18 h / Heating 4.1: 34 percent / diisobutylaluminum hydride / CH2Cl2; hexane / 0.25 h / -78 °C 5.1: toluene / 4 h / Heating 5.2: 11 mg / sodium borohydride / methanol; toluene / 0.17 h / 0 °C 6.1: diisobutylaluminum hydride / CH2Cl2; hexane / 0.17 h / 0 °C 6.2: sodium borohydride / CH2Cl2; tetrahydrofuran; H2O / 1 h / 0 °C
Multi-step reaction with 8 steps 1.1: thionyl chloride / 3 h / Heating 2.1: ammonia / CH2Cl2 / -78 - 20 °C 3.1: 50 mg / thionyl chloride / 18 h / Heating 4.1: diisobutylaluminum hydride / CH2Cl2; hexane / 0.5 h / -78 °C 4.2: 23 percent / sodium borohydride / CH2Cl2; tetrahydrofuran; methanol / 0 - 20 °C 5.1: sodium hydroxide / CH2Cl2 / 0.5 h / 20 °C 5.2: 29 percent / CH2Cl2 / 0.5 h / 20 °C 6.1: H2 / Pd/C / ethyl acetate; methanol / 1 h / 20 °C 7.1: toluene / 4 h / Heating 7.2: 11 mg / sodium borohydride / methanol; toluene / 0.17 h / 0 °C 8.1: diisobutylaluminum hydride / CH2Cl2; hexane / 0.17 h / 0 °C 8.2: sodium borohydride / CH2Cl2; tetrahydrofuran; H2O / 1 h / 0 °C
  • 23
  • [ 2089-89-6 ]
  • 1,1-bis(7-aminomethyl-2-naphthylmethyl)amine trihydrochloride [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 8 steps 1.1: thionyl chloride / 3 h / Heating 2.1: ammonia / CH2Cl2 / -78 - 20 °C 3.1: 50 mg / thionyl chloride / 18 h / Heating 4.1: 34 percent / diisobutylaluminum hydride / CH2Cl2; hexane / 0.25 h / -78 °C 5.1: toluene / 4 h / Heating 5.2: 11 mg / sodium borohydride / methanol; toluene / 0.17 h / 0 °C 6.1: diisobutylaluminum hydride / CH2Cl2; hexane / 0.17 h / 0 °C 6.2: sodium borohydride / CH2Cl2; tetrahydrofuran; H2O / 1 h / 0 °C 7.1: 3 mg / sodium hydroxide / CH2Cl2 / 20 °C 8.1: trifluoroacetic acid / CH2Cl2 / 1 h / 0 °C 8.2: 100 percent / HCl / methanol / 0.17 h / 20 °C
Multi-step reaction with 10 steps 1.1: thionyl chloride / 3 h / Heating 2.1: ammonia / CH2Cl2 / -78 - 20 °C 3.1: 50 mg / thionyl chloride / 18 h / Heating 4.1: diisobutylaluminum hydride / CH2Cl2; hexane / 0.5 h / -78 °C 4.2: 23 percent / sodium borohydride / CH2Cl2; tetrahydrofuran; methanol / 0 - 20 °C 5.1: sodium hydroxide / CH2Cl2 / 0.5 h / 20 °C 5.2: 29 percent / CH2Cl2 / 0.5 h / 20 °C 6.1: H2 / Pd/C / ethyl acetate; methanol / 1 h / 20 °C 7.1: toluene / 4 h / Heating 7.2: 11 mg / sodium borohydride / methanol; toluene / 0.17 h / 0 °C 8.1: diisobutylaluminum hydride / CH2Cl2; hexane / 0.17 h / 0 °C 8.2: sodium borohydride / CH2Cl2; tetrahydrofuran; H2O / 1 h / 0 °C 9.1: 3 mg / sodium hydroxide / CH2Cl2 / 20 °C 10.1: trifluoroacetic acid / CH2Cl2 / 1 h / 0 °C 10.2: 100 percent / HCl / methanol / 0.17 h / 20 °C
  • 24
  • [ 2089-89-6 ]
  • [ 473220-11-0 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 7 steps 1.1: thionyl chloride / 3 h / Heating 2.1: ammonia / CH2Cl2 / -78 - 20 °C 3.1: 50 mg / thionyl chloride / 18 h / Heating 4.1: 34 percent / diisobutylaluminum hydride / CH2Cl2; hexane / 0.25 h / -78 °C 5.1: toluene / 4 h / Heating 5.2: 11 mg / sodium borohydride / methanol; toluene / 0.17 h / 0 °C 6.1: diisobutylaluminum hydride / CH2Cl2; hexane / 0.17 h / 0 °C 6.2: sodium borohydride / CH2Cl2; tetrahydrofuran; H2O / 1 h / 0 °C 7.1: 3 mg / sodium hydroxide / CH2Cl2 / 20 °C
Multi-step reaction with 9 steps 1.1: thionyl chloride / 3 h / Heating 2.1: ammonia / CH2Cl2 / -78 - 20 °C 3.1: 50 mg / thionyl chloride / 18 h / Heating 4.1: diisobutylaluminum hydride / CH2Cl2; hexane / 0.5 h / -78 °C 4.2: 23 percent / sodium borohydride / CH2Cl2; tetrahydrofuran; methanol / 0 - 20 °C 5.1: sodium hydroxide / CH2Cl2 / 0.5 h / 20 °C 5.2: 29 percent / CH2Cl2 / 0.5 h / 20 °C 6.1: H2 / Pd/C / ethyl acetate; methanol / 1 h / 20 °C 7.1: toluene / 4 h / Heating 7.2: 11 mg / sodium borohydride / methanol; toluene / 0.17 h / 0 °C 8.1: diisobutylaluminum hydride / CH2Cl2; hexane / 0.17 h / 0 °C 8.2: sodium borohydride / CH2Cl2; tetrahydrofuran; H2O / 1 h / 0 °C 9.1: 3 mg / sodium hydroxide / CH2Cl2 / 20 °C
  • 25
  • [ 2089-89-6 ]
  • [ 198145-50-5 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 12 percent / 1,8-diazabicyclo[5.4.0]undec-7-ene / tetrahydrofuran / Heating 2: 10 percent / toluene; tetrahydrofuran / -40 - 25 °C
  • 26
  • [ 2089-89-6 ]
  • 1,4,13,16-tetrahydro-1,4,13,16-tetraoxo-6,11-bis(dodecyloxy)[6]helicene [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: 12 percent / 1,8-diazabicyclo[5.4.0]undec-7-ene / tetrahydrofuran / Heating 2: 10 percent / toluene; tetrahydrofuran / -40 - 25 °C 3: 54 percent / basic Al2O3 / toluene / 49 h / Heating
YieldReaction ConditionsOperation in experiment
With morpholine; acetic acid In water 5 Example 5 (Crude NDA) A sample of 150 grams of crude 2-6 and 2-7 NDA was mixed with 161 grams of morpholine and 180 grams of water. The temperature of this solution was raised to 110° C. to evaporate solvents by 86 c.c. The solution was then cooled to precipitate crystals that were then filtered to separate from the mother liquor. The filter cake was subsequently washed with a 10 wt % water mixture in morpholine to obtain 186 grams of wet cake. The wet cake is then re-dissolved in 72 grams of water and 18 grams of morpholine, and the solution was then heated to vaporize 35 c.c. of condensate. After cooling the solution for precipitation, filtering, and washing with a mixture of solvent containing 10 wt % water in morpholine, 158 grams of wet cake was obtained. A mixture of 16 grams of water and 158 grams of acetic acid was then added to the purified salt to precipitate the product acid. It was then filtered, washed with water, dried to obtain 85 grams of purified acid. The crude NDA was purified to 99.993%. Analysis with Capillary Electro-phoresis of the crude acid showed 11 peaks with time and area at (8.86,3.824), (8.92,2.891), (8.92,5.518), (9.06,10.038), (9.18,36.226), (9.45,18.536), (9.52,13.944), (9.57,8.298), (11.87,0.106), (11.99,0.598). Electro-phoresis of the purified acid showed 2 peaks with time and area at (9.49,99.993) and (9.55,0.007).
  • 28
  • [ 7440-74-6 ]
  • [ 2089-89-6 ]
  • [ 7732-18-5 ]
  • In(OH)(2,7-naphthalene dicarboxylate)(H2O) [ No CAS ]
YieldReaction ConditionsOperation in experiment
In water mixt. of In (2 equiv.), acid (1 equiv.), H2O (560 equiv.) was heated at 200°C for 15 d; quenched at room temp.; filtered; washed (H2O); dried at ambient temp.; elem. anal.;
  • 29
  • [ 617-84-5 ]
  • copper nitrate hemi(pentahydrate) [ No CAS ]
  • [ 64-17-5 ]
  • [ 2089-89-6 ]
  • [ 7732-18-5 ]
  • [Cu24(2,7-naphthalenedicarboxylate)24(diethylformamide)8(H2O)16]*(diethylformamide)20(EtOH)4(H2O)14 [ No CAS ]
YieldReaction ConditionsOperation in experiment
74% In ethanol High Pressure; equimolar amounts of diacid and Cu-salt in diethanolformamide-ethanol mixt. were sealed in a glass tube and heated at a rate 1°C/min to 100°C for 20 h, cooled at a constant rate to room temp. (1°C/min); crystals were washed with diethylformamide and cyclohexane; elem. anal.;
  • 30
  • [ 280-57-9 ]
  • zinc(II) nitrate hexahydrate [ No CAS ]
  • [ 2089-89-6 ]
  • [ 33513-42-7 ]
  • Zn4(2,7-naphthalenedicarboxylate)4(diazabicyclo[2.2.2]octane)(OH2)2(dimethylformamide)2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
57% In N,N-dimethyl-formamide; acetonitrile mixt. Zn(NO3)2*6H2O and 2,7-naphthalenedicarboxylic acid in DMF was heated at 110°C for 32 h, filtered, soln. diazabicyclo(2.2.2)octane in MeCN was carefully layered on DMF soln., mixt. was stand for 9 days; ppt. was collected, washed with DMF, dried under vac. for 12 h; elem. anal.;
  • 31
  • zinc(II) nitrate hexahydrate [ No CAS ]
  • [ 2089-89-6 ]
  • [ 7732-18-5 ]
  • [ 33513-42-7 ]
  • [Zn9O3(2,7-naphthalenedicarboxylate)6(dimethylformamide)3]*(dimethylfomamide)7*1.5H2O [ No CAS ]
YieldReaction ConditionsOperation in experiment
In water High Pressure; solvothermal react. of Zn salt with C12H8O4 at 120°C in presence of DMF; detd. by powder XRD;
  • 32
  • zinc(II) nitrate hexahydrate [ No CAS ]
  • [ 2089-89-6 ]
  • Zn(II)(2,7-naphthalenedicarboxylate) [ No CAS ]
YieldReaction ConditionsOperation in experiment
13% With Et3N In N,N-dimethyl-formamide High Pressure; Zn nitrate and 2,7-naphthalenedicarboxylic acid (1:1) in DMF treated with 1 equiv. of Et3N, vigorously stirred for 2 h, heated in a glass vial at 110°C for 20 h; guest exchanged with CH3CN and CHCl3, and evacueted by heating at 150°C for 12 h (vac.), elem. anal.;
  • 33
  • [ 553-26-4 ]
  • zinc(II) nitrate hexahydrate [ No CAS ]
  • [ 2089-89-6 ]
  • [ 33513-42-7 ]
  • [ 1237747-79-3 ]
YieldReaction ConditionsOperation in experiment
In N,N-dimethyl-formamide High Pressure; Zn salt, 2,7-naphthalene dicarboxylic acid and 4,4'-bipyridyl reacted solvothermally in DMF;
  • 35
  • [ 2089-89-6 ]
  • 2ClO4(1-)*C16H38N6Ni(2+) [ No CAS ]
  • [ 75-05-8 ]
  • C16H38N6*C2H3N*C12H6O4(2-)*Ni(2+) [ No CAS ]
YieldReaction ConditionsOperation in experiment
51% With triethylamine In water at 20℃; for 0.166667h;
  • 36
  • [ 553-26-4 ]
  • zinc(II) nitrate hexahydrate [ No CAS ]
  • [ 2089-89-6 ]
  • [ 1235962-85-2 ]
YieldReaction ConditionsOperation in experiment
95% In N,N-dimethyl-formamide at 119.84℃; for 24h; Inert atmosphere; 4 Zinc nitrate hexahydrate 5.00g (17mmol), 2,7-naphthalenedicarboxylic acid 3.68g (17mmol), and 2.65 g (17mmol) of 4,4'-bipyridyl were dissolved in 200 mL of N.N-dimethylformamide under a nitrogen atmosphere, and stirred at 393K for 24 hours. The obtained crystal were subjected to single crystal X-ray structural analysis. Composition of the skeleton of this complex was zinc:2,7-naphthalene-dicarboxylic-acid:4,4'-bipyridyl =1:1:1. After suction filtration, the depositing metal complex was recovered, washed 3 times with ethanol, and dried at 373K and 50 Pa for 8 hours, to obtain the target metal complex 7.02g (95% of yield).
  • 37
  • [ 67-56-1 ]
  • zinc(II) nitrate hexahydrate [ No CAS ]
  • [ 2089-89-6 ]
  • [ 33513-42-7 ]
  • C14H8N2*Zn(2+)*C12H6O4(2-)*CH4O*2C3H7NO [ No CAS ]
YieldReaction ConditionsOperation in experiment
at 80℃; for 24h;
  • 38
  • [ 2549-47-5 ]
  • [ 2089-89-6 ]
YieldReaction ConditionsOperation in experiment
99% With potassium hydroxide In ethanol; water
Same Skeleton Products
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