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| CAS No.: | 58328-31-7 |
|---|---|
| Name: | 4,4'-Bis(N-carbazolyl)-1,1'-biphenyl |
| Article Data: | 26 |
| Molecular Structure: | |
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| Formula: | C36H24N2 |
| Molecular Weight: | 484.6 |
| Synonyms: | Carbazole,9,9'-(4,4'-biphenylylene)di- (6CI);4,4'-Bis(N-carbazole)biphenyl;4,4'-Bis(N-carbazolyl)biphenyl;4,4'-Bis(carbazol-9-yl)biphenyl;4,4'-Biscarbazolylbiphenyl;4,4'-Di(N-carbazole)-1,1'-biphenyl;4,4'-Di(N-carbazolyl)biphenyl;4,4'-N,N'-Dicarbazolylbiphenyl;CBP (dye);DCBP (chargetransfer agent); |
| EINECS: | 627-757-5 |
| Density: | 1.19 g/cm3 |
| Melting Point: | 281-285 °C |
| Boiling Point: | 700.8 °C at 760 mmHg |
| Flash Point: | 377.6 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 37/38-41 |
| Safety: | 26-36/39 |
| PSA: | 9.86000 |
| LogP: | 9.54780 |
- 81281-59-67-Benzylideneaminotheophylline
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- 99170-93-1N-Methyl-2-oxazolamine
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- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
| Conditions | Yield |
|---|---|
| With copper(I) chloride; potassium carbonate In dimethyl sulfoxide at 140 - 170℃; for 4h; | 98% |
| With potassium carbonate; copper(l) chloride In dimethyl sulfoxide at 140 - 170℃; for 4h; | 98% |
| With copper(l) iodide; caesium carbonate; lithium chloride In N,N-dimethyl-formamide at 150℃; for 48h; | 92% |
| Conditions | Yield |
|---|---|
| Stage #1: 9H-carbazole With methylmagnesium chloride In tetrahydrofuran; 5,5-dimethyl-1,3-cyclohexadiene at 5℃; for 0.5h; Inert atmosphere; Schlenk technique; Glovebox; Stage #2: 4,4'-dichlorobiphenyl With 2,6-bis(2,4,6-triisopropylphenyl)phenyl(dicyclohexylphosphine) In tetrahydrofuran; 5,5-dimethyl-1,3-cyclohexadiene; dodecane at 145℃; for 3h; Reagent/catalyst; Temperature; Inert atmosphere; Schlenk technique; Glovebox; Sealed tube; | 98% |
| Conditions | Yield |
|---|---|
| Stage #1: 9H-carbazole With methylmagnesium chloride In tetrahydrofuran; 5,5-dimethyl-1,3-cyclohexadiene at 5 - 20℃; for 0.166667h; Inert atmosphere; Stage #2: 4-(4-bromophenyl)bromobenzene With PdCl(π-allyl)(cyclohexyl-(1-methyl-2,2-diphenylcyclopropylphophine)) In tetrahydrofuran; 5,5-dimethyl-1,3-cyclohexadiene at 108 - 112℃; for 0.25h; Inert atmosphere; | 97% |
| With 1-methyl-pyrrolidin-2-one; copper; potassium carbonate at 240℃; for 72h; | 55% |
| With iodine; copper; potassium carbonate Nitrobenzol; | |
| With potassium carbonate In nitrobenzene for 72h; Reflux; |
- 57102-42-8
N-(4-bromophenyl)carbazole
- 58328-31-7
4,4'-bis(9H-carbazol-9-yl)biphenyl
| Conditions | Yield |
|---|---|
| Stage #1: N-(4-bromophenyl)carbazole With tert.-butyl lithium In tetrahydrofuran; pentane at -78℃; for 1h; Inert atmosphere; Stage #2: With copper(l) cyanide In tetrahydrofuran; pentane at -78 - 25℃; Inert atmosphere; Stage #3: In tetrahydrofuran; pentane at 25℃; for 3h; Inert atmosphere; | 93% |
- 2050-68-2
4,4'-dichlorobiphenyl
- 86-74-8
9H-carbazole
A
- 342638-54-4
3,3'-Bis(9H-carbozol-9-yl)-1,1'-biphenyl
B
- 1325751-60-7
9,9'-(biphenyl-3,4'-diyl)bis(9H-carbazole)
C
- 58328-31-7
4,4'-bis(9H-carbazol-9-yl)biphenyl
| Conditions | Yield |
|---|---|
| With potassium tert-butylate In toluene at 130 - 140℃; for 48h; Inert atmosphere; Autoclave; regioselective reaction; | A 5% B 2% C 90% |
- 92-86-4
4-(4-bromophenyl)bromobenzene
- 86-74-8
9H-carbazole
A
- 342638-54-4
3,3'-Bis(9H-carbozol-9-yl)-1,1'-biphenyl
B
- 1325751-60-7
9,9'-(biphenyl-3,4'-diyl)bis(9H-carbazole)
C
- 58328-31-7
4,4'-bis(9H-carbazol-9-yl)biphenyl
| Conditions | Yield |
|---|---|
| With potassium tert-butylate In toluene at 130 - 140℃; for 48h; Inert atmosphere; Autoclave; regioselective reaction; | A 8.5% B 4% C 77% |
- 13029-09-9
2,2'-dibromobiphenyl
- 92-87-5
p,p'-diaminobiphenyl
- 58328-31-7
4,4'-bis(9H-carbazol-9-yl)biphenyl
| Conditions | Yield |
|---|---|
| With (6-Dipp)PdCl2-SPhos; sodium t-butanolate In neat (no solvent) at 170℃; for 24h; Buchwald-Hartwig Coupling; Inert atmosphere; | 76% |
| With caesium carbonate; L-proline; copper(l) chloride In dimethyl sulfoxide at 150℃; for 48h; | 32% |
- 2915-43-7
4,4'-diazidobiphenyl
- 4688-76-0
2-Biphenylboronic acid
- 58328-31-7
4,4'-bis(9H-carbazol-9-yl)biphenyl
| Conditions | Yield |
|---|---|
| With dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; silver(I) acetate; sodium carbonate In 1,4-dioxane at 80℃; for 12h; Schlenk technique; | 70% |
- 1150-62-5
N-phenylcarbazole
- 58328-31-7
4,4'-bis(9H-carbazol-9-yl)biphenyl
| Conditions | Yield |
|---|---|
| With tungsten(VI) chloride In dichloromethane Inert atmosphere; | 61% |
- 92-86-4
4-(4-bromophenyl)bromobenzene
- 74367-40-1
N-(trimethylsilyl)-9H-carbazole
- 58328-31-7
4,4'-bis(9H-carbazol-9-yl)biphenyl
| Conditions | Yield |
|---|---|
| With tri-tert-butyl phosphine; caesium carbonate; cesium fluoride; tris-(dibenzylideneacetone)dipalladium(0); carbon dioxide In hexane at 100℃; under 93086.6 Torr; for 48h; | 47% |
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Specification
The CAS register number of 4,4'-Bis(N-carbazolyl)-1,1'-biphenyl is 58328-31-7. It also can be called as 4,4-N, N'-Dicarbazole-1,1'-biphenyl and the systematic name about this chemical is 9,9'-biphenyl-4,4'-diylbis(9H-carbazole). The molecular formula about this chemical is C36H24N2 and the molecular weight is 484.59. It belongs to the following product categories, such as Electronic; Electronic Chemicals; Carbazoles; Carbazoles (for Conduting Polymer Research); Electroluminescence; Functional Materials; Reagents for Conducting Polymer Research; White powder and so on. This chemical is stable under normal temperature and pressure. If you want to store it, please keep it in a colsed, cool and dry place, ans also keep away from light, you also need avoid contact with water.
Physical properties about 4,4'-Bis(N-carbazolyl)-1,1'-biphenyl are: (1)ACD/LogP: 11.93; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 11.93; (4)ACD/LogD (pH 7.4): 11.93; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 9.86Å2; (12)Index of Refraction: 1.697; (13)Molar Refractivity: 155.98 cm3; (14)Molar Volume: 404.8 cm3; (15)Polarizability: 61.83x10-24cm3; (16)Surface Tension: 49.5 dyne/cm; (17)Enthalpy of Vaporization: 102.58 kJ/mol; (18)Boiling Point: 700.8 °C at 760 mmHg; (19)Vapour Pressure: 1.73E-19 mmHg at 25°C.
Preparation: this chemical can be prepared by carbazole and 4,4'-dibromo-biphenyl. This reaction will need reagent K2CO3, copper bronze, 1-methyl-2-pyrrolidinone. The reaction time is 72 hour(s) with reaction temperature of 240 ℃. The yield is about 55%.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to respiratory system and skin, it has risk of serious damage to the eyes. When you are using it, wear suitable protective clothing and eye / face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cccc3c1c2c(cccc2)n3c8ccc(c7ccc(n6c4ccccc4c5ccccc56)cc7)cc8
(2)InChI: InChI=1/C36H24N2/c1-5-13-33-29(9-1)30-10-2-6-14-34(30)37(33)27-21-17-25(18-22-27)26-19-23-28(24-20-26)38-35-15-7-3-11-31(35)32-12-4-8-16-36(32)38/h1-24H
(3)InChIKey: VFUDMQLBKNMONU-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C36H24N2/c1-5-13-33-29(9-1)30-10-2-6-14-34(30)37(33)27-21-17-25(18-22-27)26-19-23-28(24-20-26)38-35-15-7-3-11-31(35)32-12-4-8-16-36(32)38/h1-24H
(5)Std. InChIKey: VFUDMQLBKNMONU-UHFFFAOYSA-N