3'-Fluoroacetophenone

Base Information

• Chemical Name: 3'-Fluoroacetophenone
• CAS No.: 455-36-7
• Molecular Formula: C8H7FO
• Molecular Weight: 138.141
• Hs Code.: 29143990
• European Community (EC) Number: 207-245-4
• NSC Number: 88301
• DSSTox Substance ID: DTXSID8073186
• Nikkaji Number: J142.886A
• Wikidata: Q72479011
• Mol file: 455-36-7.mol

Synonyms:Acetophenone,3'-fluoro- (6CI,7CI,8CI);1-(3-Fluorophenyl)ethanone;1-Acetyl-3-fluorobenzene;3-Acetyl-1-fluorobenzene;3-Fluorophenyl methyl ketone;3'-Fluoroacetophenone;NSC 88301;m-Fluoroacetophenone;m-Fluorophenyl methyl ketone;

Chemical Property of 3'-Fluoroacetophenone

Chemical Property:

• Appearance/Colour: Clear colourless to yellow liquid
• Vapor Pressure: 0.27mmHg at 25°C
• Melting Point: -3 °C
• Refractive Index: n20/D 1.509(lit.)
• Boiling Point: 204 °C at 760 mmHg
• Flash Point: 70.4 °C
• PSA: 17.07000
• Density: 1.103 g/cm³
• LogP: 2.02830
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Slightly soluble in water.
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 138.048093005
• Heavy Atom Count: 10
• Complexity: 133

Purity/Quality:

99% ^*data from raw suppliers

3''-Fluoroacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-36/37/39-27

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC(=CC=C1)F
• Uses: 3'-Fluoroacetophenone is used as raw material and intermediate in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuffs.

Technology Process of 3'-Fluoroacetophenone

There total 39 articles about 3'-Fluoroacetophenone 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: 99.0%

1-(3-fluorophenyl)ethanol (402-63-1) → 1-(3-fluorophenyl)ethanone (455-36-7)

Guidance literature:

With [(2-(benzoimidazol-2-yl)-6-(3,5-dimethylpyrazol-1-yl)pyridine)RuCl₂(PPh₃)]; potassium tert-butylate; acetone; In methanol; at 56 ℃; for 0.05h; under 750.075 Torr; Catalytic behavior; Inert atmosphere;

DOI:10.1016/j.tetlet.2014.01.072

Reference yield: 90.0%

3-fluorobenzenesulfonohydrazide (890522-63-1) + acetonitrile (75-05-8,26809-02-9) → 1-(3-fluorophenyl)ethanone (455-36-7)

Guidance literature:

With 1,10-Phenanthroline; water; palladium diacetate; at 100 ℃; for 6h; under 760.051 Torr;

DOI:10.1021/acs.joc.8b00211

Reference yield: 82.0%

-butyl vinyl ether (111-34-2,92680-80-3) + 3-fluorobromobenzene (1073-06-9) → 1-(3-fluorophenyl)ethanone (455-36-7)

Guidance literature:

With 1,3-bis-(diphenylphosphino)propane; diisopropylamine; 1-butyl-3-methylimidazolium Tetrafluoroborate; palladium diacetate; In dimethyl sulfoxide; at 115 ℃; for 36h;

DOI:10.1016/j.tet.2005.06.066

upstream raw materials:

1-(3-fluorophenyl)ethanol

1-(3-aminophenyl)ethanone

3-fluorobenzoyl chloride

(3-fluorophenyl)trimethylsilane

Downstream raw materials:

N-<1-(3-fluorophenyl)ethylidene>-2-(trifluoromethyl)aniline

1-(3-fluorophenyl)ethanol

4,4,4-trifluoro-1-(3-fluorophenyl)butane-1,3-dione

ethyl 3-(3-fluorophenyl)-3-oxopropanoate

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、 Zhu, Xianjin,Liu, Can,Liu, Yong,Yang, Haijun,Fu, Hua. "A sodium trifluoromethanesulfinate-mediated photocatalytic strategy for aerobic oxidation of alcohols". . p. 12443 - 12446. Retrieved 2020/10/30.