11H-Benzo[a]carbazole

Base Information

• Chemical Name: 11H-Benzo[a]carbazole
• CAS No.: 239-01-0
• Molecular Formula: C16H11 N
• Molecular Weight: 217.27
• Hs Code.: 2933990090
• European Community (EC) Number: 205-945-4
• NSC Number: 403640,60421
• UNII: 3Y3SPE26QX
• DSSTox Substance ID: DTXSID80946694
• Nikkaji Number: J35.606I
• Wikidata: Q27258199
• Metabolomics Workbench ID: 122680
• ChEMBL ID: CHEMBL1173622
• Mol file: 239-01-0.mol

Synonyms:11H-Benzo[a]carbazole;239-01-0;Benzocarbazole;1,2-Benzocarbazole;1,2-Benzcarbazole;11-Azachrysofluorene;BENZO(A)CARBAZOLE;Benzo[a]carbazole;11H-Benzo(a)carbazole;EINECS 205-945-4;UNII-3Y3SPE26QX;NSC 403640;BRN 0155940;3Y3SPE26QX;CHEMBL1173622;MFCD00215939;NSC-60421;NSC-403640;67526-84-5;5-20-08-00456 (Beilstein Handbook Reference);WLN: T D6 B566 CMJ;benzo[1,2]carbazole;benzo[3,4]carbazole;1,2-Benzo-carbazole;D09DGA;SCHEMBL70791;c12Nc3ccccc3c1ccc4c2cccc4;11H-benzo[a]carbazole, 99%;DTXSID80946694;NSC60421;BDBM50322599;NSC403640;AKOS024329811;AS-57456;LS-33690;SY234275;B4635;CS-0012573;FT-0699779;Y10638;A847649;Q27258199

Chemical Property of 11H-Benzo[a]carbazole

Chemical Property:

• Vapor Pressure: 4.5E-08mmHg at 25°C
• Melting Point: 266℃
• Refractive Index: 1.8230 (estimate)
• Boiling Point: 456.1°Cat760mmHg
• PKA: 17.00±0.30(Predicted)
• Flash Point: 207.9°C
• PSA: 15.79000
• Density: 1.277g/cm³
• LogP: 4.47430
• XLogP3: 5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 217.089149355
• Heavy Atom Count: 17
• Complexity: 287

Purity/Quality:

99% ^*data from raw suppliers

11H-Benzo[a]carbazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC3=C2NC4=CC=CC=C34

Technology Process of 11H-Benzo[a]carbazole

There total 96 articles about 11H-Benzo[a]carbazole which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%

2-(2-nitrophenyl)naphthalene (94064-83-2) → 11H-benzo[a]carbazole (239-01-0)

Guidance literature:

With (4s,6s)-2,4,5,6-tetra(9H-carbazol-9-yl)isophthalonitrile; triphenylphosphine; In 1,4-dioxane; at 55 ℃; for 60h; Inert atmosphere; Irradiation;

DOI:10.1016/j.cclet.2021.02.047

Reference yield: 91.0%

5,6-dihydro-11H-benzo[a]carbazole (21064-49-3) → 11H-benzo[a]carbazole (239-01-0)

Guidance literature:

With copper(II) choride dihydrate; In dimethyl sulfoxide; at 20 - 120 ℃; Reagent/catalyst;

DOI:10.1080/00397911.2020.1731757

Reference yield: 89.0%

11H-benzo[a]carbazole-6-carboxyaldehyde (1088486-78-5) → 11H-benzo[a]carbazole (239-01-0)

Guidance literature:

With C₃₈H₃₂ClOPRh; 1,3-bis-(diphenylphosphino)propane; In xylenes; at 140 ℃; for 24h;

DOI:10.1021/ja803954e

upstream raw materials:

5,6-dihydro-11H-benzo[a]carbazole

8,9,10,11-tetrahydro-7H-benzo[a]carbazole

1-(naphthalen-1-yl)-1H-benzo[d][1,2,3]triazole

5-chloro-8,9,10,11-tetrahydro-7H-benzo[a]carbazole

Downstream raw materials:

(4-{11H-benzo[a]carbazol-11-yl}phenyl)boronic acid

C₄₄H₂₉N₃

11-(4-bromophenyl)-11H-benzo[a]carbazole

Refernces

• 1、 Kametami et al.. "-". . p. 786. Retrieved 1968.
• 2、 Ghom, Monica H.,Naykode, Mahavir S.,Humne, Vivek T.,Lokhande, Pradeep D.. "A one-pot direct regioselective iodination of Fischer-Borsche product using periodic acid in PEG-400". . p. 1029 - 1031. Retrieved 2019.
• 3、 Wang, Peng,Chen, Shuqing,Zhou, Zhiyu,Cheng, Hong-Gang,Zhou, Qianghui. "Chemoselective Borono-Catellani Arylation for Unsymmetrical Biaryls Synthesis". . p. 3323 - 3327. Retrieved 2019.
• 4、 Qu, Zhonghua,Wang, Pu,Chen, Xing,Deng, Guo-Jun,Huang, Huawen. "Visible-light-driven Cadogan reaction". supporting information. p. 2582 - 2586. Retrieved 2021/03/09.
• 5、 Steingruber, H. Sebastián,Mendioroz, Pamela,Volpe, María A.,Gerbino, Darío C.. "Convenient One-Pot Synthesis of 9 H -Carbazoles by Microwave Irradiation Employing a Green Palladium-Based Nanocatalyst". . p. 4048 - 4058. Retrieved 2021/08/03.