5-Bromo-1,3-dimethyl-1H-indole

Base Information

• Chemical Name: 5-Bromo-1,3-dimethyl-1H-indole
• CAS No.: 10075-49-7
• Molecular Formula: C10H10BrN
• Molecular Weight: 224.1
• DSSTox Substance ID: DTXSID801305891
• Nikkaji Number: J3.319.352A
• Mol file: 10075-49-7.mol

Synonyms:5-Bromo-1,3-dimethyl-1H-indole;10075-49-7;5-bromo-1,3-dimethylindole;1H-Indole, 5-bromo-1,3-dimethyl-;SCHEMBL2382103;DTXSID801305891;MFCD21988755;AKOS022189223;DS-9167;DA-16425;5-Bromo-1 pound not3-dimethyl-1H-indole;CS-0152874;C71042

Chemical Property of 5-Bromo-1,3-dimethyl-1H-indole

Chemical Property:

• PSA: 4.93000
• LogP: 3.24920
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 222.99966
• Heavy Atom Count: 12
• Complexity: 171

Purity/Quality:

97% ^*data from raw suppliers

5-Bromo-1,3-dimethyl-1H-indole 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CN(C2=C1C=C(C=C2)Br)C

Technology Process of 5-Bromo-1,3-dimethyl-1H-indole

There total 8 articles about 5-Bromo-1,3-dimethyl-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: 95.0%

5-bromo-3-methyl-1H-indole (10075-48-6) + methyl iodide (74-88-4) → N-methyl-3-methyl-5-bromoindole (10075-49-7)

Guidance literature:

5-bromo-3-methyl-1H-indole; With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 0 ℃; for 0.5h;

methyl iodide; In N,N-dimethyl-formamide; mineral oil; for 0.5h;

Reference yield: 93.2%

5-bromo-3-methyl-1H-indole (10075-48-6) + ethyl iodide (75-03-6) → N-methyl-3-methyl-5-bromoindole (10075-49-7)

Guidance literature:

5-bromo-3-methyl-1H-indole; With sodium hydride; In tetrahydrofuran; mineral oil; at 0 - 5 ℃; for 1.1h;

ethyl iodide; In tetrahydrofuran; at 0 - 20 ℃; for 18h;

Reference yield:

C9H11BrN2 → N-methyl-3-methyl-5-bromoindole (10075-49-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: zinc(II) chloride / para-xylene / 160 °C

2.1: sodium hydride / N,N-dimethyl-formamide; mineral oil / 0.5 h / 0 - 20 °C / Inert atmosphere

2.2: 0 - 20 °C / Inert atmosphere

With sodium hydride; zinc(II) chloride; In para-xylene; N,N-dimethyl-formamide; mineral oil;

DOI:10.1021/ol501094z

upstream raw materials:

5-bromo-3-methyl-1H-indole

methyl iodide

(4-bromophenyl)hydrazine

5-bromo-1H-indole-3-carboxaldehyde