7-Bromo-1,2,3,4-tetrahydrocyclopenta[b]indole

Base Information

• Chemical Name: 7-Bromo-1,2,3,4-tetrahydrocyclopenta[b]indole
• CAS No.: 164736-47-4
• Molecular Formula: C11H10BrN
• Molecular Weight: 236.111
• DSSTox Substance ID: DTXSID80351461
• Nikkaji Number: J1.856.121B
• Wikidata: Q82127893
• ChEMBL ID: CHEMBL1376914
• Mol file: 164736-47-4.mol

Synonyms:7-bromo-1,2,3,4-tetrahydrocyclopenta[b]indole;164736-47-4;7-Bromo-1,2,3,4-tetrahydrocyclopent[b]indole;Cyclopent[b]indole, 7-bromo-1,2,3,4-tetrahydro-;Bio6E6;7-Bromo-1H,2H,3H,4H-Cyclopenta[B]Indole;MLS000861453;CHEMBL1376914;SCHEMBL12647098;DTXSID80351461;HMS2797P11;CCG-47005;MFCD00239009;AKOS000295361;AS-67571;SMR000460237;CS-0206659;FT-0732388;D95882;A853681;AR-360/42253624;SR-01000636664-1

Chemical Property of 7-Bromo-1,2,3,4-tetrahydrocyclopenta[b]indole

Chemical Property:

• Vapor Pressure: 0.00542mmHg at 25°C
• Boiling Point: 265.9oC at 760 mmHg
• PKA: 16.87±0.20(Predicted)
• Flash Point: 114.6oC
• PSA: 15.79000
• Density: 1.41g/cm3
• LogP: 3.41910
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 234.99966
• Heavy Atom Count: 13
• Complexity: 206

Purity/Quality:

97% ^*data from raw suppliers

7-Bromo-1,2,3,4-tetrahydrocyclopenta[b]indole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=C(C1)NC3=C2C=C(C=C3)Br

Technology Process of 7-Bromo-1,2,3,4-tetrahydrocyclopenta[b]indole

There total 7 articles about 7-Bromo-1,2,3,4-tetrahydrocyclopenta[b]indole 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: 92.9%

4-bromophenylhydrazine hydrochloride (622-88-8,41931-18-4) + cyclopentanone (120-92-3) → 7-bromo-1,2,3,4-tetrahydrocyclopentaindole (164736-47-4)

Guidance literature:

In ethanol; for 10h; Reflux;

Reference yield: 46.0%

2,3-dihydro-1H-cyclopentindole (2047-91-8) → 7-bromo-1,2,3,4-tetrahydrocyclopentaindole (164736-47-4) + 5-bromo-1,2,3,4-tetrahydrocyclopenta[b]indole + 5,7-dibromo-1,2,3,4-tetrahydrocyclopenta[b]indole (535961-80-9)

Guidance literature:

2,3-dihydro-1H-cyclopentindole; With pyridine; bromine; In dichloromethane; at -20 ℃; for 30h;

With acetic acid; zinc; In tetrahydrofuran; dichloromethane; at -78 - 20 ℃;

DOI:10.1002/jhet.5570400214

Reference yield:

5,7-dibromo-1,2,3,4-tetrahydrocyclopenta[b]indole (535961-80-9) → 7-bromo-1,2,3,4-tetrahydrocyclopentaindole (164736-47-4) + 5-bromo-1,2,3,4-tetrahydrocyclopenta[b]indole

Guidance literature:

With tert.-butyl lithium; potassium hydride; In diethyl ether; at -78 ℃; for 0.166667h;

DOI:10.1016/S0040-4039(02)02658-8

upstream raw materials:

4-bromophenylhydrazine hydrochloride

cyclopentanone

2,3-dihydro-1H-cyclopentindole

5,7-dibromo-1,2,3,4-tetrahydrocyclopenta[b]indole