1-(2-Chloro-3-fluorophenyl)ethanone

Base Information

• Chemical Name: 1-(2-Chloro-3-fluorophenyl)ethanone
• CAS No.: 161957-57-9
• Molecular Formula: C8H6ClFO
• Molecular Weight: 172.5840432
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID90565734
• Wikidata: Q72451193
• Mol file: 161957-57-9.mol

Synonyms:1-(2-Chloro-3-fluorophenyl)ethanone;161957-57-9;2'-Chloro-3'-fluoroacetophenone;Ethanone, 1-(2-chloro-3-fluorophenyl)-;1-(2-Chloro-3-fluorophenyl)ethan-1-one;SCHEMBL8242079;DTXSID90565734;YLXXXDDQBMAZKT-UHFFFAOYSA-N;CL8639;MFCD13194221;AKOS015995486;CS-W005743;SB73970;DS-17951;EN300-130299;A856316

Chemical Property of 1-(2-Chloro-3-fluorophenyl)ethanone

Chemical Property:

• Boiling Point: 205℃
• Flash Point: 78℃
• PSA: 17.07000
• Density: 1.258
• LogP: 2.68170
• Storage Temp.: 2-8°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 172.0091207
• Heavy Atom Count: 11
• Complexity: 160

Purity/Quality:

97% ^*data from raw suppliers

1-(2-Chloro-3-fluorophenyl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=C(C(=CC=C1)F)Cl
• Uses: 1-(2-Chloro-3-fluorophenyl)ethanone was used to prepare novel 6-aminofuro[3,2-c]pyridines as potent, orally efficacious inhibitors of cMET and RON kinases.

Technology Process of 1-(2-Chloro-3-fluorophenyl)ethanone

There total 6 articles about 1-(2-Chloro-3-fluorophenyl)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: 95.0%

2-chloro-3-fluoro-N-methoxy-N-methylbenzamide (1286776-24-6) + methylmagnesium chloride (676-58-4) → 1-(2-chloro-3-fluorophenyl)ethanone (161957-57-9)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; ethyl acetate;

Reference yield: 89.0%

→ 1-(2-chloro-3-fluorophenyl)ethanone (161957-57-9)

Guidance literature:

In tetrahydrofuran; diethyl ether; at 0 ℃; for 3h;

Reference yield: 61.0%

3-chloro-3-fluorobenzoic acid (102940-86-3) + methyllithium (917-54-4) → 1-(2-chloro-3-fluorophenyl)ethanone (161957-57-9)

Guidance literature:

With chloro-trimethyl-silane; In tetrahydrofuran; diethyl ether; at 0 - 10 ℃;

upstream raw materials:

chloro-trimethyl-silane

3-chloro-3-fluorobenzoic acid

methyllithium

3-fluorobenzoic acid

Downstream raw materials:

(S)-tert-butyl 3-(2-chloro-3-fluorophenyl)-3-((R)-1,1-dimethylethylsulfinamido) butanoate