2,4-Difluorobenzophenone

Base Information

• Chemical Name: 2,4-Difluorobenzophenone
• CAS No.: 85068-35-5
• Molecular Formula: C13H8F2O
• Molecular Weight: 218.203
• Hs Code.: 29147000
• European Community (EC) Number: 285-297-7
• UNII: 4NKN93YU9B
• DSSTox Substance ID: DTXSID30234139
• Nikkaji Number: J236.434D
• Wikidata: Q72462561
• Mol file: 85068-35-5.mol

Synonyms:2,4-Difluorobenzophenone;85068-35-5;(2,4-Difluorophenyl)(phenyl)methanone;(2,4-difluorophenyl)-phenylmethanone;Methanone, (2,4-difluorophenyl)phenyl-;4NKN93YU9B;EINECS 285-297-7;UNII-4NKN93YU9B;[2,4-bis(fluoranyl)phenyl]-phenyl-methanone;2,4-difluorobenzo-phenone;SCHEMBL158348;FRHMSTHFVFIPCO-UHFFFAOYSA-;DTXSID30234139;MFCD00000331;AKOS009157023;CS-W014802;FS-4357;(2,4-Difluorophenyl)(phenyl)methanone #;(2,4-DIFLUOROPHENYL)PHENYLMETHANONE;FT-0610091;D95687;A822123;A841190;A863728;W-104094

Chemical Property of 2,4-Difluorobenzophenone

Chemical Property:

• Appearance/Colour: Transparent colorless to light yellow liquid
• Vapor Pressure: 0.000246mmHg at 25°C
• Melting Point: 33 °C
• Refractive Index: n20/D 1.568(lit.)
• Boiling Point: 324.4 °C at 760 mmHg
• Flash Point: 124.4 °C
• PSA: 17.07000
• Density: 1.239 g/cm³
• 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:

99% ^*data from raw suppliers

2,4-Difluorobenzophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,4-Difluorobenzophenone

There total 8 articles about 2,4-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: 91.0%

benzoyl chloride (98-88-4) + 2,4-difluorophenylboronic acid (144025-03-6) → (2,4-difluorophenyl)-(phenyl)methanone (85068-35-5)

Guidance literature:

With [Pd(η(5)-C5H5)Fe(η(5)-C5H3-C(CH3)=N-C6H4-4-CH3)Cl(P(C6H5)3)]; potassium carbonate; In toluene; at 60 ℃; for 12h; Inert atmosphere;

DOI:10.1016/j.tet.2012.01.053

Reference yield: 91.0%

carbon monoxide (201230-82-2) + 2,4-difluoro-1-iodobenzene (2265-93-2) + phenylboronic acid (98-80-6) → (2,4-difluorophenyl)-(phenyl)methanone (85068-35-5)

Guidance literature:

With potassium fluoride; potassium phosphate; copper; Trimethylacetic acid; at 100 ℃; for 12h; under 760.051 Torr;

DOI:10.1039/c4ra08594a

Reference yield: 91.0%

→ (2,4-difluorophenyl)-(phenyl)methanone (85068-35-5)

Guidance literature:

With potassium fluoride; potassium phosphate; copper; Trimethylacetic acid; at 100 ℃; for 12h; under 760.051 Torr;

upstream raw materials:

benzoyl chloride

2,4-difluorophenylboronic acid

benzoic acid anhydride

carbon monoxide

Downstream raw materials:

(4-benzoyl-3-fluorophenyl)phenylthioether

C₁₉H₁₄FN₃O₂S

6-fluoro-3-phenyl-1H-indazole

C₁₇H₁₀FN₃O₂S

Refernces

• 1、 Yu, Tao,Guo, Mingqing,Wen, Simiaomiao,Zhao, Rongrong,Wang, Jinlong,Sun, Yanli,Liu, Qixing,Zhou, Haifeng. "Poly(ethylene glycol) dimethyl ether mediated oxidative scission of aromatic olefins to carbonyl compounds by molecular oxygen". . p. 13848 - 13852. Retrieved 2021/04/22.
• 2、 -. "At normal pressure fragrant ketone copper catalytic synthesis method". Paragraph 0026; 0027; 0030. . Retrieved 2017/07/14.