2-Chloro-4'-fluoroacetophenone

Base Information

• Chemical Name: 2-Chloro-4'-fluoroacetophenone
• CAS No.: 456-04-2
• Molecular Formula: C8H6ClFO
• Molecular Weight: 172.586
• Hs Code.: 29147000
• European Community (EC) Number: 207-256-4
• DSSTox Substance ID: DTXSID70196560
• Nikkaji Number: J90.722G
• Wikidata: Q69757950
• ChEMBL ID: CHEMBL105037
• Mol file: 456-04-2.mol

Synonyms:2-chloro-4'-fluoroacetophenone;2-Cl-4'-F-acetophenone;alpha-chloro-4-fluoroacetophenone

Chemical Property of 2-Chloro-4'-fluoroacetophenone

Chemical Property:

• Appearance/Colour: light yellow to yellow-beige flakes or platelets
• Vapor Pressure: 1.9Pa at 27.1℃
• Melting Point: 47-50 °C
• Boiling Point: 247 °C at 760 mmHg
• Flash Point: 103.2 °C
• PSA: 17.07000
• Density: 1.263 g/cm³
• LogP: 2.24720
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Lachrymatory
• Water Solubility.: Insoluble in water.
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 172.0091207
• Heavy Atom Count: 11
• Complexity: 141

Purity/Quality:

99% ^*data from raw suppliers

4-FluorophenacylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,Xi,C
• Hazard Codes: Xi,C,T
• Statements: 36/37/38-34-23/25-36
• Safety Statements: 26-28-45-36/37/39-27

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)CCl)F
• Uses: 1-methyl-2-(4-methylthio)phenyl-4-(4-fluoro)phenylimidazole which was synthesized by condensing N-methyl-4-(methylthio)benzamidine with 2-chloro-4?-fluoroacetophenone.

Technology Process of 2-Chloro-4'-fluoroacetophenone

There total 19 articles about 2-Chloro-4'-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: 98.1%

fluorobenzene (462-06-6) + chloroacetyl chloride (79-04-9) → 2-Chloro-4'-fluoroacetophenone (456-04-2)

Guidance literature:

With C₆H₁₁N₂⁽¹⁺⁾*Cl^(1-)*Al_0.67Cl_2.01; at 20 ℃; for 0.5h; Reagent/catalyst; Concentration; Temperature;

Reference yield: 98.0%

methyl 4-flurobenzoate (403-33-8) + chloroacetic acid (79-11-8) → 2-Chloro-4'-fluoroacetophenone (456-04-2)

Guidance literature:

With lithium hexamethyldisilazane; In tetrahydrofuran; at -10 ℃; Flow reactor;

DOI:10.1002/anie.201810158

Reference yield: 92.0%

1-(chloroethynyl)-4-fluorobenzene (1737-34-4) → 2-Chloro-4'-fluoroacetophenone (456-04-2)

Guidance literature:

With tetrafluoroboric acid; water; In 2,2,2-trifluoroethanol; at 80 ℃; for 10h;

DOI:10.1016/j.tetlet.2016.09.088

upstream raw materials:

fluorobenzene

chloroacetyl chloride

1-(4-fluorophenyl)ethanone

1-ethynyl-4-fluorobenzene

Downstream raw materials:

4-(4-fluorophenyl)-2-methylthiazole

S-acetyl-2-mercapto-4’-fluoroacetophenone

1-(4-fluorophenyl)ethanone

1-chloro-2-(4-fluorophenyl)-3-trimethylsilyl-2-propanol

Refernces

• 1、 Wang, Liang-Liang,Battini, Narsaiah,Bheemanaboina, Rammohan R. Yadav,Ansari, Mohammad Fawad,Chen, Jin-Ping,Xie, Yun-Peng,Cai, Gui-Xin,Zhang, Shao-Lin,Zhou, Cheng-He. "A new exploration towards aminothiazolquinolone oximes as potentially multi-targeting antibacterial agents: Design, synthesis and evaluation acting on microbes, DNA, HSA and topoisomerase IV". . p. 166 - 181. Retrieved 2019/07/02.
• 2、 Zhong, Jian-Ji,To, Wai-Pong,Liu, Yungen,Lu, Wei,Che, Chi-Ming. "Efficient acceptorless photo-dehydrogenation of alcohols and: N -heterocycles with binuclear platinum(ii) diphosphite complexes". . p. 4883 - 4889. Retrieved 2019/05/16.