7-Bromo-4-methyl-1H-indole

Base Information

• Chemical Name: 7-Bromo-4-methyl-1H-indole
• CAS No.: 165669-07-8
• Molecular Formula: C9H8BrN
• Molecular Weight: 210.073
• Hs Code.: 2933990090
• European Community (EC) Number: 839-991-7
• DSSTox Substance ID: DTXSID30595934
• Nikkaji Number: J1.495.867C
• Wikidata: Q82491046
• Mol file: 165669-07-8.mol

Synonyms:7-Bromo-4-methyl-1H-indole;165669-07-8;1H-Indole, 7-bromo-4-methyl-;SCHEMBL2768928;DTXSID30595934;SJOBFYZCJCKOAF-UHFFFAOYSA-N;AMY24412;MFCD09955320;AKOS016012471;DS-5482;SB14724;DB-341962;CS-0042321;EN300-755620;A911363;Z1269146528

Chemical Property of 7-Bromo-4-methyl-1H-indole

Chemical Property:

• Boiling Point: 330.7±22.0 °C(Predicted)
• PKA: 15.69±0.30(Predicted)
• PSA: 15.79000
• Density: 1.563±0.06 g/cm3(Predicted)
• 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:

97% ^*data from raw suppliers

7-Bromo-4-methyl-1H-indole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C=CNC2=C(C=C1)Br

Technology Process of 7-Bromo-4-methyl-1H-indole

There total 2 articles about 7-Bromo-4-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: 59.0%

4-Bromo-3-nitrotoluene (5326-34-1) + vinyl magnesium bromide (1826-67-1) → 7-Bromo-4-methyl-1H-indole (165669-07-8)

Guidance literature:

In tetrahydrofuran; at -45 - -40 ℃;

DOI:10.1021/jo0057396

Reference yield:

→ 7-Bromo-4-methyl-1H-indole (165669-07-8)

Guidance literature:

Reference yield: 89.0%

7-Bromo-4-methyl-1H-indole (165669-07-8) → 4-methyl-1H-indole (16096-32-5,261352-49-2)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In toluene; at 110 ℃; for 12h;

DOI:10.1021/jo0057396

upstream raw materials:

4-Bromo-3-nitrotoluene

vinyl magnesium bromide

Downstream raw materials:

4-methyl-1H-indole

4-methyl-1H-indol-7-amine

N-(4-methyl-1H-indol-7-yl)-4-nitro-benzenesulfonamide

N-(3-chloro-4-methyl-1H-indol-7-yl)-4-nitro-benzenesulfonamide