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

Base Information

• Chemical Name: (4-Chloro-phenyl)-(1H-indol-3-yl)-methanone
• CAS No.: 26211-77-8
• Molecular Formula: C15H10ClNO
• Molecular Weight: 255.703
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10562705
• Nikkaji Number: J3.159.186D
• Wikidata: Q82446964
• Mol file: 26211-77-8.mol

Synonyms:26211-77-8;3-(4-Chlorobenzoyl)indole;(4-Chloro-phenyl)-(1H-indol-3-yl)-methanone;(4-chlorophenyl)-(1h-indol-3-yl)methanone;3-(4-chlorobenzoyl)-1h-indole;SCHEMBL6705760;DTXSID10562705;(4-Chlorophenyl)(1H-indol-3-yl)methanone

Chemical Property of (4-Chloro-phenyl)-(1H-indol-3-yl)-methanone

Chemical Property:

• Melting Point: 239-242 °C(Solv: acetone (67-64-1))
• Boiling Point: 456.5±25.0 °C(Predicted)
• PKA: 15.06±0.30(Predicted)
• PSA: 32.86000
• Density: 1.332±0.06 g/cm3(Predicted)
• 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: 312

Purity/Quality:

98%Min ^*data from raw suppliers

3-(4-Chlorobenzoyl)indole 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=C(C=C3)Cl

Technology Process of (4-Chloro-phenyl)-(1H-indol-3-yl)-methanone

There total 9 articles about (4-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: 90.0%

4-Cyanochlorobenzene (623-03-0) + indole (120-72-9) → (4-chlorophenyl)-(1H-indol-3-yl)methanone (26211-77-8)

Guidance literature:

With [2,2]bipyridinyl; (1S)-10-camphorsulfonic acid; water; palladium diacetate; at 120 ℃; for 36h;

DOI:10.1021/ol303440y

Reference yield: 80.0%

indole (120-72-9) + N-(p-chlorobenzyl)aniline (4750-61-2) → (4-chlorophenyl)-(1H-indol-3-yl)methanone (26211-77-8)

Guidance literature:

With tert.-butylhydroperoxide; trimethylpyruvic acid; 2,3-dicyano-5,6-dichloro-p-benzoquinone; iron(II) chloride; In decane; dimethyl sulfoxide; at 25 ℃; for 24h; regioselective reaction; Inert atmosphere;

DOI:10.1021/ja2048495

Reference yield: 78.0%

bis-(4-chloro-β-phenylhydrazono-phenethyl)-sulfide + N,N-dimethyl-formamide (68-12-2,33513-42-7) → (4-chlorophenyl)-(1H-indol-3-yl)methanone (26211-77-8) + 1-phenyl-3-(4-chlorophenyl)-4-pyrazolecarboxaldehyde (36663-00-0)

Guidance literature:

With trichlorophosphate; at 0 - 83 ℃; for 2.5h;

DOI:10.1002/hlca.201200198

upstream raw materials:

indole

4-chloro-benzoyl chloride

N-(p-chlorobenzyl)aniline

4-Cyanochlorobenzene

Downstream raw materials:

[3-(4-Chloro-benzoyl)-indol-1-yl]-acetic acid ethyl ester

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