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

Base Information

• Chemical Name: 6-Bromo-3-methyl-1H-indole
• CAS No.: 1219741-50-0
• Molecular Formula: C9H8BrN
• Molecular Weight: 210.073
• Hs Code.: 2933990090
• European Community (EC) Number: 807-926-1
• DSSTox Substance ID: DTXSID70695083
• Wikidata: Q82624093
• Mol file: 1219741-50-0.mol

Synonyms:6-BROMO-3-METHYL-1H-INDOLE;1219741-50-0;1H-Indole, 6-bromo-3-methyl-;SCHEMBL11489;DTXSID70695083;LJFVGMUBSYLFLX-UHFFFAOYSA-N;AMY25933;MFCD09834853;AKOS016008164;SB14936;AS-35580;CS-0050274;FT-0737360;A909790

Chemical Property of 6-Bromo-3-methyl-1H-indole

Chemical Property:

• PSA: 15.79000
• LogP: 3.23880
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 3.3
• 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%,99%, ^*data from raw suppliers

6-Bromo-3-methyl-1H-indole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CNC2=C1C=CC(=C2)Br

Technology Process of 6-Bromo-3-methyl-1H-indole

There total 6 articles about 6-Bromo-3-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: 80.5%

→ 6-bromo-3-methyl-1H-indole (1219741-50-0)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 70 ℃; for 2h;

Reference yield: 59.0%

C9H9Br2N → 6-bromo-3-methyl-1H-indole (1219741-50-0)

Guidance literature:

With tetrabutylammomium bromide; potassium acetate; palladium diacetate; In N,N-dimethyl-formamide; at 100 ℃; for 2h; Reagent/catalyst; Inert atmosphere;

DOI:10.1080/00397911.2016.1193875

Reference yield: 53.3%

6-bromo-1H-indole-3-carbaldehyde (17826-04-9) → 6-bromo-3-methyl-1H-indole (1219741-50-0)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 20 ℃; for 6h; Inert atmosphere;

upstream raw materials:

6-bromo-3-hydroxy-3-methylindolin-2-one

6-bromoisatin

6-bromo-1H-indole

6-bromo-1H-indole-3-carbaldehyde

Downstream raw materials:

3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole

methyl 3-methylindole-6-carboxylate

3-methyl-1H-indole-6-carboxylic acid

Refernces

• 1、 -. "INHIBITORS OF ENL/AF9 YEATS". Paragraph 00231-00232. . Retrieved 2021/06/26.
• 2、 Beaud, Rodolphe,Nandi, Raj Kumar,Perez-Luna, Alejandro,Guillot, Régis,Gori, Didier,Kouklovsky, Cyrille,Ghermani, Nour-Eddine,Gandon, Vincent,Vincent, Guillaume. "Revealing the electrophilicity of: N -Ac indoles with FeCl3: A mechanistic study". supporting information. p. 5834 - 5837. Retrieved 2017/07/11.