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CAS No.: | 3652-90-2 |
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Name: | 2-BROMOCARBAZOLE |
Article Data: | 64 |
Molecular Structure: | |
Formula: | C12H8BrN |
Molecular Weight: | 246.106 |
Synonyms: | 9H-Carbazole, 2-bromo-;2-Bromocarbazole; |
EINECS: | 807-979-0 |
Density: | 1.617 g/cm3 |
Melting Point: | 253.0 to 257.0 °C |
Boiling Point: | 409.228 °C at 760 mmHg |
Flash Point: | 201.294 °C |
PSA: | 15.79000 |
LogP: | 4.08360 |
2-bromo-9H-carbazole
Conditions | Yield |
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With N1-(4-hydroxy-2,6-dimethylphenyl)-N2-(4-hydroxy-3,5-dimethylphenyl)oxalamide; water; copper(l) chloride; sodium t-butanolate In dimethyl sulfoxide at 110℃; for 24h; Schlenk technique; Inert atmosphere; | 99% |
4'-bromo-2-nitrobiphenyl
2-bromo-9H-carbazole
Conditions | Yield |
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With triphenylphosphine In 1,2-dichloro-benzene at 170℃; for 12h; Inert atmosphere; | 89% |
With triethyl phosphite In 1,2-dichloro-benzene at 80 - 150℃; Inert atmosphere; | 75% |
Stage #1: 4'-bromo-2-nitrobiphenyl With triethyl phosphite at 160℃; for 2h; Stage #2: With hydrogenchloride In water for 1h; Reflux; | 67.6% |
Conditions | Yield |
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With potassium fluoride; tris-(dibenzylideneacetone)dipalladium(0); t-BuBrettPhos; potassium bromide In 1,4-dioxane at 130℃; for 16h; Inert atmosphere; | 83% |
Conditions | Yield |
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With triethylphosphine for 12h; Reflux; | 82.4% |
With triphenylphosphine In 1,2-dichloro-benzene at 200℃; | 77% |
With triphenylphosphine In 1,2-dichloro-benzene Inert atmosphere; Reflux; | 77% |
2-(trimethylsilyl)phenyl trifluoromethanesulfonate
2-bromo-9H-carbazole
Conditions | Yield |
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With cesium fluoride In acetonitrile at 20℃; regioselective reaction; | 80% |
2-bromo-9H-carbazole
Conditions | Yield |
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In tetrahydrofuran for 4h; Solvent; Inert atmosphere; Irradiation; | 80% |
A
2-bromo-9H-carbazole
Conditions | Yield |
---|---|
With N1-(4-hydroxy-2,6-dimethylphenyl)-N2-(4-hydroxy-3,5-dimethylphenyl)oxalamide; water; copper(l) chloride; sodium hydroxide In dimethyl sulfoxide at 110℃; for 24h; Schlenk technique; Inert atmosphere; | A 74% B 26% |
2-bromo-9H-carbazole
Conditions | Yield |
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With sodium azide; copper(I) thiophene-2-carboxylate; sodium hydrogencarbonate; triphenylphosphine In N,N-dimethyl acetamide at 100℃; for 12h; Inert atmosphere; Schlenk technique; | 63% |
With sodium azide; copper(I) thiophene-2-carboxylate; sodium hydrogencarbonate; triphenylphosphine In N,N-dimethyl acetamide at 100℃; for 12h; Inert atmosphere; Schlenk technique; | 63% |
4'-bromo-[1,1'-biphenyl]-2-amine
2-bromo-9H-carbazole
Conditions | Yield |
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With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; copper diacetate; Trimethylacetic acid In 1-methyl-pyrrolidin-2-one at 120℃; for 12h; | 33% |
Multi-step reaction with 2 steps 1.1: acetic acid; sodium nitrite / water / 1 h / 0 °C 1.2: Sandmeyer Reaction / 1 h / 0 - 20 °C / Inert atmosphere 2.1: tetrahydrofuran / 4 h / Inert atmosphere; Irradiation View Scheme | |
Multi-step reaction with 3 steps 1.1: hydrogenchloride; sodium nitrite / water; tetrahydrofuran / 1 h / 0 - 5 °C 1.2: 20 °C 2.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 1 h / 0 - 20 °C 3.1: copper(I) thiophene-2-carboxylate; triphenylphosphine; sodium azide; sodium hydrogencarbonate / N,N-dimethyl acetamide / 12 h / 100 °C / Inert atmosphere; Schlenk technique View Scheme |
7-bromo-2,3,4,9-tetrahydro-1H-carbazole
2-bromo-9H-carbazole
Conditions | Yield |
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With chloranil; xylene |
1.Introduction of 2-Bromocarbazole
The 2-Bromocarbazole with the CAS number 3652-90-2 is also called 9H-Carbazole, 2-bromo-. The systematic name is 2-bromo-9H-carbazole. Its molecular formula is C12H8BrN. This chemical is a kind of organics. It should be stored in dry and cool environment.
2.The properties of the 2-Bromocarbazole
(1)ACD/LogP: 4.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 1527; (6)ACD/BCF (pH 7.4): 1527; (7)ACD/KOC (pH 5.5): 6614; (8)ACD/KOC (pH 7.4): 6614; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 15.79 Å2; (13)Index of Refraction: 1.784; (14)Molar Refractivity: 64.061 cm3; (15)Molar Volume: 152.172 cm3; (16)Polarizability: 25.396×10-24cm3; (17)Surface Tension: 60.866 dyne/cm; (18)Enthalpy of Vaporization: 63.566 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.
3.Structure descriptors of 2-Bromocarbazole
(1)SMILES: Brc1ccc2c3ccccc3nc2c1
(2)InChI: InChI=1/C12H8BrN/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h1-7,14H
(3)InChIKey: PJRGCJBBXGNEGD-UHFFFAOYAK