2,5-Difluorobenzophenone

Base Information

• Chemical Name: 2,5-Difluorobenzophenone
• CAS No.: 85068-36-6
• Molecular Formula: C13H8 F2 O
• Molecular Weight: 218.203
• Hs Code.: 2914700090
• European Community (EC) Number: 285-298-2
• UNII: Z37BAF7S2A
• DSSTox Substance ID: DTXSID40234140
• Nikkaji Number: J307.990B
• Wikidata: Q72462556
• Mol file: 85068-36-6.mol

Synonyms:2,5-Difluorobenzophenone;85068-36-6;(2,5-Difluorophenyl)(phenyl)methanone;(2,5-difluorophenyl)-phenylmethanone;Z37BAF7S2A;Methanone, (2,5-difluorophenyl)phenyl-;EINECS 285-298-2;UNII-Z37BAF7S2A;(2,5-difluoro-phenyl)-phenyl-methanone;(2,5-difluorophenyl)-phenyl-methanone;2.5-difluorobenzophenone;SCHEMBL333382;2,5-difluoro diphenylmethanone;DTXSID40234140;MFCD00009899;AKOS005063990;AC-1569;AM62119;PS-7906;(2,5-Difluorophenyl)(phenyl)methanone #;(2,5-DIFLUOROPHENYL)PHENYLMETHANONE;FT-0610353;A841191

Chemical Property of 2,5-Difluorobenzophenone

Chemical Property:

• Vapor Pressure: 0.000109mmHg at 25°C
• Refractive Index: 1.5693
• Boiling Point: 120 °C
• Flash Point: >110°C
• PSA: 17.07000
• Density: 1.262
• LogP: 3.19580
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 218.05432120
• Heavy Atom Count: 16
• Complexity: 248

Purity/Quality:

98% ^*data from raw suppliers

2,5-Difluorobenzophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)F)F

Technology Process of 2,5-Difluorobenzophenone

There total 11 articles about 2,5-Difluorobenzophenone 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: 88.0%

C8H4F2O3 + phenylboronic acid (98-80-6) → 2,5-difluorobenzophenone (85068-36-6)

Guidance literature:

With silver carbonate; In acetonitrile; at 60 ℃; for 1h;

DOI:10.1039/c4ra04361h

Reference yield: 86.0%

2,5-difluorobenzonitrile (64248-64-2) + benzenesufonyl hydrazide (80-17-1) → 2,5-difluorobenzophenone (85068-36-6)

Guidance literature:

With 2,2'-biquinoline; water; palladium diacetate; In dimethyl sulfoxide; at 80 ℃; for 6h; under 760.051 Torr;

DOI:10.1021/acs.joc.8b00211

Reference yield: 86.0%

→ 2,5-difluorobenzophenone (85068-36-6)

Guidance literature:

With 8,8′-biquinoline; palladium diacetate; In water; dimethyl sulfoxide; at 80 ℃; for 6h; Inert atmosphere;

upstream raw materials:

para-difluorobenzene

benzoyl chloride

benzophenone

bromobenzene

Downstream raw materials:

2,4-dimethyl-5-phenyl-3H-1,2,4-triazole-3-thione

5-fluoro-2-methoxybenzophenone

2,5-difluorobenzophenone 2,4-dimethylthiosemicarbazone

5-(2,5-difluorophenyl)-2,4-dimethyl-5-phenyl-1,2,4-triazolidine-3-thione

Refernces

• 1、 Zhang, Yilan,Yue, Xiaoguang,Liang, Chenfeng,Zhao, Jianming,Yu, Wenbo,Zhang, Pengfei. "Photo-induced oxidative cleavage of C-C double bonds of olefins in water". supporting information. . Retrieved 2021/08/27.
• 2、 -. "Method for preparing aromatic ketone in aqueous phase". Paragraph 0042-0045. . Retrieved 2018/04/26.