2-Fluoroacetophenone

Base Information

• Chemical Name: 2-Fluoroacetophenone
• CAS No.: 450-95-3
• Molecular Formula: C8H7FO
• Molecular Weight: 138.141
• Hs Code.: 29147000
• European Community (EC) Number: 207-190-6
• DSSTox Substance ID: DTXSID90196360
• Nikkaji Number: J55.029I
• Wikidata: Q83069426
• Mol file: 450-95-3.mol

Synonyms:2-Fluoroacetophenone;2-Fluoro-1-phenylethanone;450-95-3;2-Fluoro-1-phenylethan-1-one;Phenacyl fluoride;Ethanone, 2-fluoro-1-phenyl-;alpha-Fluoroacetophenone;1-Fluoroacetophenone;ACETOPHENONE, 2-FLUORO-;fluoroacetophenone;EINECS 207-190-6;BRN 1858991;2-fluoro-1-phenyl-ethanone;fluoromethyl phenyl ketone;fluoro-acetophenone;(fluoroacetyl)benzene;2-fluoro-acetophenone;Etanona, 2-fluoro-1-fenil-;SCHEMBL157987;2-fluoro-1-phenyl ethan-1-one;DTXSID90196360;MFCD08461612;AKOS006343501;AM803925;AS-39535;CS-0037091;FT-0648926;EN300-1272026;A826713

Chemical Property of 2-Fluoroacetophenone

Chemical Property:

• Melting Point: 26-27 °C
• Refractive Index: n20/D 1.507(lit.)
• Boiling Point: 204.2 °C at 760 mmHg
• Flash Point: 74.4 °C
• PSA: 17.07000
• Density: 1.092 g/cm³
• LogP: 1.83880
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 138.048093005
• Heavy Atom Count: 10
• Complexity: 116

Purity/Quality:

99.00% ^*data from raw suppliers

2-Fluoroacetophenone ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)CF
• Uses: 2-Fluoroacetophenone is used in method for synthesizing -Fluorinated Ketone by hydrazonation of fatty chain monoketone.

Technology Process of 2-Fluoroacetophenone

There total 101 articles about 2-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: 100.0%

phenylacetylene (536-74-3) → 2-fluoroacetophenone (450-95-3)

Guidance literature:

With methanol; [bis(trifluoromethanesulfonyl)imidate](triphenylphosphine)gold(I); Selectfluor; at 70 ℃; for 17h;

DOI:10.1002/adsc.201000559

Reference yield: 93.0%

4,4,4-trifluoro-3-hydroxy-1-phenylbut-2-en-1-one (41463-86-9) → 2-fluoroacetophenone (450-95-3)

Guidance literature:

With sodium carbonate; Selectfluor; In water; acetonitrile; at 0 ℃; for 8h; Solvent; Time;

DOI:10.1055/s-0034-1380441

Reference yield: 91.0%

N-(2-fluoro-1-phenylethylidene)isopropylamine → 2-fluoroacetophenone (450-95-3)

Guidance literature:

With hydrogenchloride; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1021/ol061720z

upstream raw materials:

2-diazo-acetophenone

monofluoroacetyl chloride

benzene

1,1-Diphenylethylene

Downstream raw materials:

2-fluoro-1,1-diphenylethan-1-ol

α-chloro-α-fluoroacetophenone

α-bromo-α-fluorophenylethanone

2-fluoro-1-phenylethanol

Refernces

• 1、 Li, Weipeng,Zhu, Yunhuang,Duan, Yingqian,Zhang, Muliang,Zhu, Chengjian. "Monofluoromethylation of tetrahydroisoquinolines by visible-light induced direct C(sp3)-H bond activation". . p. 1277 - 1282. Retrieved 2015.
• 2、 -. "Alpha-fluorochalcone derivative and application thereof". . . Retrieved 2021/05/22.
• 3、 -. "Synthesis method of alpha or beta-substituted aromatic ketone". Paragraph 0022-0027; 0081-0085. . Retrieved 2021/05/01.