5-Bromo-1-methyl-1h-indole

Base Information

• Chemical Name: 5-Bromo-1-methyl-1h-indole
• CAS No.: 10075-52-2
• Molecular Formula: C9H8BrN
• Molecular Weight: 210.073
• Hs Code.: 2933990090
• European Community (EC) Number: 687-025-6
• NSC Number: 143238
• DSSTox Substance ID: DTXSID20301420
• Nikkaji Number: J1.516.610J
• Wikidata: Q72447248
• Mol file: 10075-52-2.mol

Synonyms:5-bromo-1-methyl-1h-indole;10075-52-2;5-bromo-1-methylindole;5-Bromo-1-methyl-indole;1H-Indole, 5-bromo-1-methyl-;MFCD00159857;NSC 143238;NSC143238;5-bromo-N-methylindole;SCHEMBL856111;5-Bromo-1-methylindole, 97%;DTXSID20301420;SBOITLSQLQGSLO-UHFFFAOYSA-N;AMY22097;BCP27303;AB6416;STL376232;AKOS000422688;NSC-143238;PS-5158;SY104081;CS-0034511;FT-0646834;EN300-1083997;W-204388;Z274764436

Chemical Property of 5-Bromo-1-methyl-1h-indole

Chemical Property:

• Vapor Pressure: 0.00195mmHg at 25°C
• Melting Point: 43 °C
• Refractive Index: 1.621
• Boiling Point: 300.9 °C at 760 mmHg
• Flash Point: 135.8 °C
• PSA: 4.93000
• Density: 1.47g/cm³
• LogP: 2.94080
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.4
• 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:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xn; Xi
• Hazard Codes: Xi,Xn
• Statements: 22-36/37/38-41-37/38
• Safety Statements: 22-26-36/37/39-39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CN1C=CC2=C1C=CC(=C2)Br

Technology Process of 5-Bromo-1-methyl-1h-indole

There total 27 articles about 5-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: 100.0%

5-bromo-1H-indole (10075-50-0) + methyl iodide (74-88-4) → 5-bromo-1-methyl-H-indole (10075-52-2)

Guidance literature:

With sodium hydride; In tetrahydrofuran;

Reference yield: 100.0%

5-bromo-1H-indole (10075-50-0) + methyl bromide (74-83-9) → 5-bromo-1-methyl-H-indole (10075-52-2)

Guidance literature:

5-bromo-1H-indole; With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 0 - 20 ℃; for 0.5h;

methyl bromide; In N,N-dimethyl-formamide; mineral oil; at 0 - 20 ℃;

DOI:10.1021/acs.orglett.8b00337

Reference yield: 99.0%

5-bromo-1H-indole (10075-50-0) + carbonic acid dimethyl ester (616-38-6) → 5-bromo-1-methyl-H-indole (10075-52-2)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; In DMF (N,N-dimethyl-formamide); at 90 - 95 ℃; for 5h;

upstream raw materials:

5-bromo-1-methyl-2,3-dihydroindole

5-bromo-1H-indole

methyl iodide

carbonic acid dimethyl ester

Downstream raw materials:

(5-bromo-1-methyl-1H-indol-3-yl)-(4-fluoro-phenyl)-methanone

5-bromo-1-methyl-2-phenyl-1H-indole

C₁₈H₁₆BrNO₃

1-methyl-1H-indol-5-amine