2-ethyl-9H-carbazole

Base Information

• Chemical Name: 2-ethyl-9H-carbazole
• CAS No.: 5599-49-5
• Molecular Formula: C14H13 N
• Molecular Weight: 195.264
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID60971383
• Wikidata: Q82954881
• ChEMBL ID: CHEMBL1171435
• Mol file: 5599-49-5.mol

Synonyms:2-ethyl-9H-carbazole;CHEMBL1171435;9H-Carbazole, 2-ethyl-;SCHEMBL278610;DTXSID60971383;BDBM50322582;MFCD06798806;AKOS006318511;PD180442

Chemical Property of 2-ethyl-9H-carbazole

Chemical Property:

• Vapor Pressure: 1.52E-05mmHg at 25°C
• Melting Point: 143-145°C
• Boiling Point: 376.9°Cat760mmHg
• Flash Point: 167.5°C
• PSA: 15.79000
• Density: 1.156g/cm³
• LogP: 3.88350
• Storage Temp.: 2-8°C
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 195.104799419
• Heavy Atom Count: 15
• Complexity: 225

Purity/Quality:

98.5% ^*data from raw suppliers

3-Ethylcarbazole 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 36/37/38-36-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC2=C(C=C1)C3=CC=CC=C3N2

Technology Process of 2-ethyl-9H-carbazole

There total 9 articles about 2-ethyl-9H-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: 88.0%

C14H14O2 → 3-ethyl-9H-carbazole (5599-49-5)

Guidance literature:

With ammonium hydroxide; 10 wt% Pd(OH)2 on carbon; sodium formate; trifluoroacetic acid; In m-xylene; at 140 ℃; for 24h; Inert atmosphere;

DOI:10.1021/acs.jafc.0c00644

Reference yield: 73.0%

4-ethylcyclohexanone (5441-51-0) + phenylhydrazine hydrochloride (59-88-1) → 3-ethyl-9H-carbazole (5599-49-5)

Guidance literature:

With oxygen; In 1-methyl-pyrrolidin-2-one; at 140 ℃; for 24h; under 760.051 Torr;

DOI:10.1039/c2gc36473e

Reference yield: 60.0%

[2-(2,3-Dibromo-cyclohexyl)-4-ethyl-phenyl]-methyl-amine → 3-ethyl-9H-carbazole (5599-49-5)

Guidance literature:

With diphenylether; palladium on activated charcoal; for 1h; Heating;

DOI:10.1080/00397919808006863

upstream raw materials:

6-ethyl-1,2,3,4-tetrahydro-carbazole

3-acetylcarbazole

9-acetylcarbazole

(4-ethylphenyl)hydrazine

Refernces

• 1、 Xiao, Fuhong,Liao, Yunfeng,Wu, Mingyue,Deng, Guo-Jun. "One-pot synthesis of carbazoles from cyclohexanones and arylhydrazine hydrochlorides under metal-free conditions". supporting information. p. 3277 - 3280. Retrieved 2013/01/16.