3-Bromo-1-methyl-1H-indole

Base Information

• Chemical Name: 3-Bromo-1-methyl-1H-indole
• CAS No.: 81471-20-7
• Molecular Formula: C9H8BrN
• Molecular Weight: 210.073
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID90538145
• Nikkaji Number: J1.807.912G
• Wikidata: Q82413380
• Mol file: 81471-20-7.mol

Synonyms:3-BROMO-1-METHYL-1H-INDOLE;81471-20-7;3-BROMO-1-METHYLINDOLE;1H-Indole, 3-bromo-1-methyl-;SCHEMBL1891947;DTXSID90538145;SAYZMFSSIBFGNW-UHFFFAOYSA-N;AKOS009311695;MB09274;CS-0054243;EN300-171373

Chemical Property of 3-Bromo-1-methyl-1H-indole

Chemical Property:

• PSA: 4.93000
• LogP: 2.94080
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 208.98401
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

98%Min ^*data from raw suppliers

3-Bromo-1-methyl-1H-indole 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=C(C2=CC=CC=C21)Br

Technology Process of 3-Bromo-1-methyl-1H-indole

There total 7 articles about 3-Bromo-1-methyl-1H-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: 55.0%

1-methylindole (603-76-9) + benzophenone O-acetyl oxime (21160-02-1) → C22H17BrN2 (1392400-86-0) + 3-bromo-1-methyl-1H-indole (81471-20-7)

Guidance literature:

With copper(I) bromide dimethylsulfide complex; In acetonitrile; at 70 ℃; for 16h; Schlenk technique; Inert atmosphere;

DOI:10.1021/om300553b

Reference yield: 48.0%

2,3-dibromo-1-methyl-1H-indole (128746-62-3) → 1-methylindole (603-76-9) + 3-bromo-1-methyl-1H-indole (81471-20-7)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium tetrahydroborate; N,N,N,N,-tetramethylethylenediamine; In tetrahydrofuran; at 25 ℃; Reagent/catalyst; Inert atmosphere;

DOI:10.1016/j.molcata.2014.06.012

Reference yield: 29.0%

1-methylindole (603-76-9) + bis(4-methoxyphenyl)methanone O-acetyl oxime (1392400-97-3) → C24H21BrN2O2 (1392400-88-2) + 3-bromo-1-methyl-1H-indole (81471-20-7)

Guidance literature:

With copper(I) bromide dimethylsulfide complex; In acetonitrile; at 70 ℃; for 16h; Schlenk technique; Inert atmosphere;

DOI:10.1021/om300553b

upstream raw materials:

1-methylindole

benzophenone O-acetyl oxime

diphenylmethanone O-benzoyl oxime

bis(4-methoxyphenyl)methanone O-acetyl oxime

Downstream raw materials:

N,2'-Dimethyl-2,3'-bi-indolyl

1,1′-dimethyl-1H,1′H-2,3′-biindole

1,1'1''-trimethyl-3-bromo-2,3'-2'-3''-triindolyl

N,N',N-trimethyl-2-(3-indolyl)3-(2-indolyl)indole