2',4'-Difluoroacetophenone

Base Information

• Chemical Name: 2',4'-Difluoroacetophenone
• CAS No.: 364-83-0
• Molecular Formula: C8H6F2O
• Molecular Weight: 156.132
• Hs Code.: 29147090
• European Community (EC) Number: 206-667-6
• UNII: K5ST9WKR7X
• DSSTox Substance ID: DTXSID3059894
• Nikkaji Number: J150.072D
• Wikidata: Q72462305
• Mol file: 364-83-0.mol

Synonyms:2',4'-Difluoroacetophenone;364-83-0;1-(2,4-Difluorophenyl)ethanone;2,4-Difluoroacetophenone;Ethanone, 1-(2,4-difluorophenyl)-;1-(2,4-Difluorophenyl)ethan-1-one;MFCD00151261;K5ST9WKR7X;Acetophenone, 2',4'-difluoro-;EINECS 206-667-6;2,4-difluoracetophenone;UNII-K5ST9WKR7X;2`,4`-Difluoroacetophenone;SCHEMBL11570;2', 4'-difluoroacetophenone;2',4'-Difluoroa cetophenone;DTXSID3059894;1-(2,4-difluorophenyl)-ethanone;1-(2,4-difluoro-phenyl)-ethanone;2',4'-Difluoroacetophenone, 98%;1-(2,4-Difluorophenyl)ethanone #;1-(2,4-difluorophenyl)-1-ethanone;CK2579;AKOS000121562;AC-3611;CS-W020416;PS-8847;BP-12317;SY008954;A6308;AM20040284;D1885;FT-0610080;EN300-17838;Q-101449;Z57046231;F0001-1043;2 inverted exclamation mark ,4 inverted exclamation mark -Difluoroacetophenone

Chemical Property of 2',4'-Difluoroacetophenone

Chemical Property:

• Appearance/Colour: Clear colorless to yellow liquid
• Refractive Index: n20/D 1.488(lit.)
• Boiling Point: 177.4 °C at 760 mmHg
• Flash Point: 66.7 °C
• PSA: 17.07000
• Density: 1.206 g/cm³
• LogP: 2.16740
• Storage Temp.: Store below +30°C.
• Water Solubility.: INSOLUBLE
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 156.03867113
• Heavy Atom Count: 11
• Complexity: 158

Purity/Quality:

99% ^*data from raw suppliers

2'',4''-Difluoroacetophenone ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)C1=C(C=C(C=C1)F)F
• Uses: 2'',4''-Difluoroacetophenone 2′,4′-Difluoroacetophenone has been used as starting reagent in the synthesis of difluorinated chalcones.

Technology Process of 2',4'-Difluoroacetophenone

There total 10 articles about 2',4'-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: 68.0%

1-(4-fluorophenyl)ethanone (403-42-9) → 2',4'-difluoroacetophenone (364-83-0)

Guidance literature:

With palladium diacetate; silver nitrate; N-fluorobis(benzenesulfon)imide; methyl carbamate; In dichloromethane; at 95 ℃; for 24h; Sealed tube;

DOI:10.1039/d1cc01047f

Reference yield: 18.0%

Sodium 2,4-difluorobenzenesulfinate + acetonitrile (75-05-8,26809-02-9) → 2',4'-difluoroacetophenone (364-83-0)

Guidance literature:

With palladium(II) trifluoroacetate; trifluoroacetic acid; 6-methyl-2,2'-bipyridine; In tetrahydrofuran; water; at 100 ℃; for 1h; Microwave irradiation;

DOI:10.1021/jo501875n

Reference yield:

1-(2,4-difluorophenyl)ethanone O-methyloxime → 2',4'-difluoroacetophenone (364-83-0)

Guidance literature:

With hydrogenchloride; water; In diethyl ether; at 20 ℃; for 30h;

upstream raw materials:

1,3-Difluorobenzene

acetyl chloride

acetic anhydride

2,4-difluorobromobenzene

Downstream raw materials:

4-fluoro-2-(phenylmethylthio)benzaldehyde

1-(2-(benzylthio)-4-fluorophenyl)ethan-1-one

1,3-di-(2,4-difluorophenyl)-1,3-propanedione

2-(2,4-difluorophenyl)-2-oxoacetaldehyde

Refernces

• 1、 Deng, Jiyong,Fang, Zhengjun,Lan, Donghui,Liao, Yunfeng,Liu, Qingquan,Zhang, Weijie,Zhou, Xiang. "Promoting charge separation in donor-acceptor conjugated microporous polymers: Via cyanation for the photocatalytic reductive dehalogenation of chlorides". . p. 7151 - 7159. Retrieved 2021/11/17.
• 2、 Skillinghaug, Bobo,Sk?ld, Christian,Rydfjord, Jonas,Svensson, Fredrik,Behrends, Malte,S?vmarker, Jonas,Sj?berg, Per J. R.,Larhed, Mats. "Palladium(II)-catalyzed desulfitative synthesis of aryl ketones from sodium arylsulfinates and nitriles: Scope, limitations, and mechanistic studies". . p. 12018 - 12032. Retrieved 2015/01/16.