4-bromo-5-methyl-1H-indole

Base Information

• Chemical Name: 4-bromo-5-methyl-1H-indole
• CAS No.: 610794-15-5
• Molecular Formula: C9H8BrN
• Molecular Weight: 210.07100
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00440740
• Wikidata: Q82257124
• Mol file: 610794-15-5.mol

Synonyms:4-bromo-5-methyl-1H-indole;610794-15-5;4-Bromo-5-methylindole;1H-Indole, 4-bromo-5-methyl-;MFCD11878622;SCHEMBL63525;DTXSID00440740;DVCLJDAZHYRZHZ-UHFFFAOYSA-N;AKOS016009000;CS-W003815;DS-4480;SB15182;AM804130;SY029972;A868811

Chemical Property of 4-bromo-5-methyl-1H-indole

Chemical Property:

• PSA: 15.79000
• LogP: 3.23880
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 208.98401
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

98% purity ^*data from raw suppliers

4-bromo-5-methyl-1H-indole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C2=C(C=C1)NC=C2)Br

Technology Process of 4-bromo-5-methyl-1H-indole

There total 15 articles about 4-bromo-5-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: 56.4%

C10H8BrNO2 → 4-bromo-5-methyl-1H-indole (610794-15-5)

Guidance literature:

With quinoline; copper; at 250 ℃; for 2h; Inert atmosphere; Reflux;

Reference yield: 20.0%

[2-(2-bromo-3-methyl-6-nitro-phenyl)-vinyl]-dimethyl-amine (1063613-39-7) → 4-bromo-5-methyl-1H-indole (610794-15-5)

Guidance literature:

With acetic acid; zinc; In water; at 0 - 110 ℃;

Reference yield: 5.5%

2-bromo-1,3-dimethyl-4-nitrobenzene (60956-25-4) + N,N-dimethyl-formamide dimethyl acetal (4637-24-5) → 4-bromo-5-methyl-1H-indole (610794-15-5)

Guidance literature:

2-bromo-1,3-dimethyl-4-nitrobenzene; N,N-dimethyl-formamide dimethyl acetal; With pyrrolidine; In 1,4-dioxane; at 100 ℃; for 18h; Inert atmosphere;

With iron; acetic acid; at 110 ℃; for 4h;

upstream raw materials:

3-bromo-4-methylaniline

N-(3-bromo-4-methylphenyl)methanesulfonamide

2-bromo-1,3-dimethyl-4-nitrobenzene

tert-butoxybis(dimethylamino)methane

Downstream raw materials:

5-methylindole-4-boronic acid

4-bromo-1,5-dimethyl-1H-indole

2-(5-methyl-1H-indol-4-yl)-5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-1,3-oxazole-4-carboxylic acid amide

4-Bromo-5-methylindoline

Refernces

• 1、 -. "AURORA AND FLT3 KINASES MODULATORS". Paragraph 0169; 0170. . Retrieved 2015/02/18.
• 2、 -. "SERINE/THREONINE PAK1 INHIBITORS". Page/Page column 170. . Retrieved 2013/03/26.