2-chloro-1-[2-(4-fluorophenyl)-1H-indol-3-yl]ethanone

Base Information

• Chemical Name: 2-chloro-1-[2-(4-fluorophenyl)-1H-indol-3-yl]ethanone
• CAS No.: 70093-19-5
• Molecular Formula: C16H11 Cl F N O
• Molecular Weight: 287.72
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID90407064
• Wikidata: Q82212292
• Mol file: 70093-19-5.mol

Synonyms:70093-19-5;2-chloro-1-[2-(4-fluorophenyl)-1H-indol-3-yl]ethanone;2-Chloro-1-(2-(4-fluorophenyl)-1H-indol-3-yl)ethanone;2-chloro-1-[2-(4-fluorophenyl)-1H-indol-3-yl]ethan-1-one;DTXSID90407064;MFCD06655733;AKOS000118327;6-Bromo-2-phenyl-quinoline-4-carboxylicacid;EN300-13226;Z89283959

Chemical Property of 2-chloro-1-[2-(4-fluorophenyl)-1H-indol-3-yl]ethanone

Chemical Property:

• Vapor Pressure: 6.74E-10mmHg at 25°C
• Boiling Point: 493.9°C at 760 mmHg
• Flash Point: 252.5°C
• PSA: 32.86000
• Density: 1.342g/cm³
• LogP: 4.39550
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 287.0513198
• Heavy Atom Count: 20
• Complexity: 356

Purity/Quality:

99% ^*data from raw suppliers

2-CHLORO-1-[2-(4-FLUOROPHENYL)-1H-INDOL-3-YL]ETHANONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=C(N2)C3=CC=C(C=C3)F)C(=O)CCl

Technology Process of 2-chloro-1-[2-(4-fluorophenyl)-1H-indol-3-yl]ethanone

There total 2 articles about 2-chloro-1-[2-(4-fluorophenyl)-1H-indol-3-yl]ethanone 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: 72.0%

chloroacetyl chloride (79-04-9) + 2-(4-fluorophenyl)indole (782-17-2) → 2-chloro-1-(2-(4-fluorophenyl)indol-3-yl)ethanone (70093-19-5)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In 1,2-dichloro-ethane; at 90 ℃; for 24h; regioselective reaction; Inert atmosphere;

DOI:10.1021/jo502463d

Reference yield:

→ 2-chloro-1-(2-(4-fluorophenyl)indol-3-yl)ethanone (70093-19-5)

Guidance literature:

5-H-2-(4'-Fluorphenyl)-indol (Ia), Chloracetylchlorid, Py., in Dioxan;

Reference yield: 63.0%

2-chloro-1-(2-(4-fluorophenyl)indol-3-yl)ethanone (70093-19-5) + 4-(4-chlorophenyl) piperazine (38212-33-8) → 2-[4-(4-Chloro-phenyl)-piperazin-1-yl]-1-[2-(4-fluoro-phenyl)-1H-indol-3-yl]-ethanone

Guidance literature:

In ethanol; for 4h; Heating;

upstream raw materials:

chloroacetyl chloride

2-(4-fluorophenyl)indole

Downstream raw materials:

1-[2-(4-fluoro-phenyl)-indol-3-yl]-2-morpholin-4-yl-ethanone