(3-Chloro-phenyl)-(1H-indol-3-yl)-methanone

Base Information

• Chemical Name: (3-Chloro-phenyl)-(1H-indol-3-yl)-methanone
• CAS No.: 405275-16-3
• Molecular Formula: C₁₅H₁₀ClNO
• Molecular Weight: 255.703
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID20655879
• Nikkaji Number: J3.616.298H
• Wikidata: Q82570231
• Mol file: 405275-16-3.mol

Synonyms:3-(3-Chlorobenzoyl)indole;405275-16-3;(3-Chloro-phenyl)-(1H-indol-3-yl)-methanone;(3-chlorophenyl)-(1H-indol-3-yl)methanone;DTXSID20655879;3-(3-CHLOROBENZOYL)-1H-INDOLE;(1H-Indole-3-yl)(3-chlorophenyl) ketone;(3-Chlorophenyl)(1H-indol-3-yl)methanone;J3.616.298H

Chemical Property of (3-Chloro-phenyl)-(1H-indol-3-yl)-methanone

Chemical Property:

• PSA: 32.86000
• LogP: 4.05230
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 255.0450916
• Heavy Atom Count: 18
• Complexity: 320

Purity/Quality:

98% ^*data from raw suppliers

(3-Chloro-phenyl)-(1H-indol-3-yl)-methanone 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)C(=O)C3=CC(=CC=C3)Cl

Technology Process of (3-Chloro-phenyl)-(1H-indol-3-yl)-methanone

There total 5 articles about (3-Chloro-phenyl)-(1H-indol-3-yl)-methanone 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: 86.0%

indole (120-72-9) + 2-(3-chlorophenyl)-2-oxoacetic acid (26767-07-7) → (3-chlorophenyl)(1H-indol-3-yl)methanone (405275-16-3)

Guidance literature:

With rose bengal; In ethanol; at 20 ℃; for 10h; regioselective reaction; Molecular sieve; Irradiation;

DOI:10.1039/c6gc00516k

Reference yield: 81.0%

potassium N-indolyltriethylborate + m-Chlorobenzoyl chloride (618-46-2) → (3-chlorophenyl)(1H-indol-3-yl)methanone (405275-16-3)

Guidance literature:

In tetrahydrofuran; hexane; at -15 ℃; for 24h;

DOI:10.1021/acs.orglett.6b01970

Reference yield: 71.0%

indole (120-72-9) + m-Chlorobenzoyl chloride (618-46-2) → (3-chlorophenyl)(1H-indol-3-yl)methanone (405275-16-3)

Guidance literature:

indole; With diethylaluminium chloride; In hexane; dichloromethane; at 0 ℃; for 0.5h;

m-Chlorobenzoyl chloride; In hexane; dichloromethane; at 0 - 20 ℃; for 12h;

DOI:10.3987/COM-18-13888

upstream raw materials:

indole

m-Chlorobenzoyl chloride

2-(3-chlorophenyl)-2-oxoacetic acid