2-Chloro-2',5'-difluoroacetophenone

Base Information

• Chemical Name: 2-Chloro-2',5'-difluoroacetophenone
• CAS No.: 60468-36-2
• Molecular Formula: C8H5ClF2O
• Molecular Weight: 190.577
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID20407299
• Nikkaji Number: J2.433.763D
• Wikidata: Q72518283
• Mol file: 60468-36-2.mol

Synonyms:60468-36-2;2-chloro-2',5'-difluoroacetophenone;2-chloro-1-(2,5-difluorophenyl)ethanone;2-chloro-1-(2,5-difluorophenyl)ethan-1-one;2-Chloro-2,5-Difluoroacetophenone;a-Chloro-2',5'-difluoroacetophenone;2,5-difluorophenacyl chloride;Ethanone, 2-chloro-1-(2,5-difluorophenyl)-;SCHEMBL3094911;DTXSID20407299;HJWDDTDVBUFTCP-UHFFFAOYSA-N;CK2577;MFCD04115827;AKOS000200525;AB20618;AC-1572;CS-W021631;AS-62182;2-chloro-1-(2,5-difluoro-phenyl)-ethanone;A8436;AM20040821;FT-0640691;EN300-05212;Z104484624

Chemical Property of 2-Chloro-2',5'-difluoroacetophenone

Chemical Property:

• Appearance/Colour: White solid
• Vapor Pressure: 0.00441mmHg at 25°C
• Melting Point: 49-50 °C(Solv: ethanol (64-17-5); water (7732-18-5))
• Refractive Index: 1.593
• Boiling Point: 240.5 °C at 760 mmHg
• Flash Point: 99.3 °C
• PSA: 17.07000
• Density: 1.353 g/cm³
• LogP: 2.38630
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 189.9996988
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Chloro-2'',5''-difluoroacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)C(=O)CCl)F
• Uses: 2-Chloro-2'',5''-difluoroacetophenone

Technology Process of 2-Chloro-2',5'-difluoroacetophenone

There total 3 articles about 2-Chloro-2',5'-difluoroacetophenone 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: 84.0%

para-difluorobenzene (540-36-3) + chloroacetyl chloride (79-04-9) → α-chloro-2',5'-difluoroacetophenone (60468-36-2)

Guidance literature:

With aluminum (III) chloride; at 0 - 60 ℃; for 2h;

Reference yield:

2',5'-difluoroacetophenone (1979-36-8) → α-chloro-2',5'-difluoroacetophenone (60468-36-2)

Guidance literature:

With N-chloro-succinimide; toluene-4-sulfonic acid;

DOI:10.1021/acs.joc.8b01450

Reference yield:

→ α-chloro-2',5'-difluoroacetophenone (60468-36-2)

Guidance literature:

With N,N,N-trimethylbenzenemethanaminium dichloroiodate; In tetrahydrofuran; at 20 ℃; for 72h;

upstream raw materials:

para-difluorobenzene

chloroacetyl chloride

2',5'-difluoroacetophenone

Downstream raw materials:

Difluorphenyl-2-chloraethanol

(4S)-5,5-diphenyl-4-isopropyl-3-[(2R,3R)-4-chloro-3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-1-oxobutyl]-1,3-oxazolidin-2-one

Isavuconazole

Refernces

• 1、 -. "PROCESS FOR THE PREPARATION OF KEY INTERMEDIATES OF OMARIGLIPTIN". Paragraph 0079. . Retrieved 2015/11/11.
• 2、 Rosen, Jonathan,Steinhuebel, Dietrich,Palucki, Michael,Davies, Ian. "One-step synthesis of α-Chloro acetophenones from acid chlorides and Aryl precursors". . p. 667 - 669. Retrieved 2008/02/05.