9H-Carbazole-3-carboxylic acid

Base Information

• Chemical Name: 9H-Carbazole-3-carboxylic acid
• CAS No.: 51035-17-7
• Molecular Formula: C13H9NO2
• Molecular Weight: 211.22
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30389976
• Wikidata: Q82186299
• Mol file: 51035-17-7.mol

Synonyms:9H-Carbazole-3-carboxylic acid;51035-17-7;CARBAZOLE-3-CARBOXYLIC ACID;MFCD03152409;9H-CARBAZOLE-3-CARBOXYLICACID;6-carbazolecarboxylic acid;Oprea1_332226;SCHEMBL70283;AF-399/40971738;AML0032;DTXSID30389976;UZRJWXGXZKPSJO-UHFFFAOYSA-N;BCA03517;STK522513;AKOS001321837;DS-2647;SB66911;carbazole-3-carboxylic acid, AldrichCPR;SY114263;CS-0043099;FT-0658750;EN300-156879;AB00682777-01;A828406;SR-01000318297;J-519512;SR-01000318297-1;Z62436565

Chemical Property of 9H-Carbazole-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.05E-10mmHg at 25°C
• Melting Point: 276-278 °C
• Refractive Index: 1.796
• Boiling Point: 497.2 °C at 760 mmHg
• PKA: 4.40±0.30(Predicted)
• Flash Point: 254.5 °C
• PSA: 53.09000
• Density: 1.422g/cm³
• LogP: 3.01930
• Storage Temp.: 2-8°C
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 211.063328530
• Heavy Atom Count: 16
• Complexity: 292

Purity/Quality:

98%Min ^*data from raw suppliers

9H-carbazole-3-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C3=C(N2)C=CC(=C3)C(=O)O

Technology Process of 9H-Carbazole-3-carboxylic acid

There total 24 articles about 9H-Carbazole-3-carboxylic acid 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: 96.0%

3-methoxycarbonylcarbazole (97931-41-4) → 9H-carbazole-3-carboxylic acid (51035-17-7)

Guidance literature:

3-methoxycarbonylcarbazole; With potassium hydroxide; In ethanol; water; for 16h; Reflux;

With hydrogenchloride; In water; pH=2;

Reference yield: 92.0%

6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid (36729-27-8) → 9H-carbazole-3-carboxylic acid (51035-17-7)

Guidance literature:

With iodine; In dimethyl sulfoxide; at 100 ℃; for 12h;

DOI:10.1039/c4ob00635f

Reference yield: 92.0%

9H-carbazole-3-carboxylic acid ethyl ester (51035-14-4) → 9H-carbazole-3-carboxylic acid (51035-17-7)

Guidance literature:

With potassium hydroxide; In ethanol; water; for 5h; Heating;

DOI:10.1023/A:1020884824796

upstream raw materials:

3-bromo-9H-carbazole

3-acetylcarbazole

6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid

9H-carbazole-3-carboxylic acid ethyl ester

Downstream raw materials:

9H-carbazole

C₂₁H₁₆N₂O₃

C₂₃H₂₀N₂O₃

9H-Carbazole-3-carboxylic acid {2-[4-(5-fluoro-2-trifluoromethyl-benzoyl)-piperazin-1-yl]-2-oxo-ethyl}-amide

Refernces

• 1、 Zelent, Bogumil,Durocher, Gilles. "One-electron photooxidation of carbazole in the presence of carbon tetrachloride. Part I. Carbon tetrachloride and ethanol used as reaction media". . p. 945 - 956. Retrieved 1982.
• 2、 Huang, Yafei,Yu, Mingcheng,Sun, Nannan,Tang, Ting,Yu, Fazhi,Song, Xiaoxia,Xie, Qiong,Fu, Wei,Shao, Liming,Wang, Yonghui. "Discovery of carbazole carboxamides as novel RORγt inverse agonists". . p. 465 - 476. Retrieved 2018/02/28.
• 3、 Humne, Vivek,Dangat, Yuvraj,Vanka, Kumar,Lokhande, Pradeep. "Iodine-catalyzed aromatization of tetrahydrocarbazoles and its utility in the synthesis of glycozoline and murrayafoline A: A combined experimental and computational investigation". supporting information. p. 4832 - 4836. Retrieved 2014/07/07.