1H-Indole-3-acetonitrile, 2-bromo-

Base Information

• Chemical Name: 1H-Indole-3-acetonitrile, 2-bromo-
• CAS No.: 106050-92-4
• Molecular Formula: C10H7BrN2
• Molecular Weight: 235.083
• DSSTox Substance ID: DTXSID60462327
• Mol file: 106050-92-4.mol

Synonyms:1H-Indole-3-acetonitrile, 2-bromo-;106050-92-4;2-(2-bromo-1H-indol-3-yl)acetonitrile;(2-bromo-1h-indol-3-yl)-acetonitrile;SCHEMBL6669729;DTXSID60462327

Chemical Property of 1H-Indole-3-acetonitrile, 2-bromo-

Chemical Property:

• PSA: 39.58000
• LogP: 2.99648
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 233.97926
• Heavy Atom Count: 13
• Complexity: 232

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=C(N2)Br)CC#N

Technology Process of 1H-Indole-3-acetonitrile, 2-bromo-

There total 1 articles about 1H-Indole-3-acetonitrile, 2-bromo- 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: 90.0%

indole-3-acetonitrile (771-51-7) → (2-bromo-1H-indol-3-yl)-acetonitrile (106050-92-4)

Guidance literature:

With N-Bromosuccinimide; silica gel; In dichloromethane; at 20 ℃; for 0.416667h;

DOI:10.1016/S0040-4039(86)80045-4

Reference yield: 99.0%

(5-chloropent-1-ynyl)benzene (24463-87-4) + (2-bromo-1H-indol-3-yl)-acetonitrile (106050-92-4) → 2-bromo-1-(5-phenylpent-4-ynyl)-1H-indole-3-acetonitrile

Guidance literature:

With caesium carbonate; sodium iodide; In acetone; at 75 ℃; for 24h;

DOI:10.1021/jo0343228

Reference yield: 90.0%

potassium trans-4-phenyl-1-but-1-enyl trifluoroborate + (2-bromo-1H-indol-3-yl)-acetonitrile (106050-92-4) → (2-(4-phenyl-but-1-enyl)-1H-indol-3-yl)-acetonitrile

Guidance literature:

With caesium carbonate; triphenylphosphine; palladium diacetate; In tetrahydrofuran; water; at 70 ℃; for 3h;

DOI:10.1021/jo050286w

upstream raw materials:

indole-3-acetonitrile

Downstream raw materials:

paullone

[2-(2-chloro-phenyl)-1H-indol-3-yl]-acetic acid

[2-(3-chloro-phenyl)-1H-indol-3-yl]-acetic acid

[2-(4-bromo-phenyl)-1H-indol-3-yl]-acetic acid