4'-Fluoroacetophenone oxime

Base Information

• Chemical Name: 4'-Fluoroacetophenone oxime
• CAS No.: 329-79-3
• Molecular Formula: C8H8 F N O
• Molecular Weight: 153.156
• Hs Code.: 2928000090
• European Community (EC) Number: 825-913-9
• NSC Number: 154663
• Nikkaji Number: J1.098.204I,J3.012.059K
• Mol file: 329-79-3.mol

Synonyms:4'-Fluoroacetophenone oxime;NSC 154663;(NZ)-N-[1-(4-fluorophenyl)ethylidene]hydroxylamine;BRN 2086063;ACETOPHENONE, 4'-FLUORO-, OXIME;329-79-3;Ethanone, 1-(4-fluorophenyl)-, oxime;4-07-00-00636 (Beilstein Handbook Reference);SCHEMBL15067987;(E)-4'-Fluoroacetophenone oxime;NSC154663;NSC-154663

Chemical Property of 4'-Fluoroacetophenone oxime

Chemical Property:

• Vapor Pressure: 0.0214mmHg at 25°C
• Melting Point: 72-74 °C
• Boiling Point: 239.8°Cat760mmHg
• PKA: 11.27±0.70(Predicted)
• Flash Point: 98.8°C
• PSA: 32.59000
• Density: 1.12g/cm³
• LogP: 2.02390
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 153.058992041
• Heavy Atom Count: 11
• Complexity: 150

Purity/Quality:

98%min ^*data from raw suppliers

4-FLUOROACETOPHENONE OXIME 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=NO)C1=CC=C(C=C1)F
• Isomeric SMILES: C/C(=N/O)/C1=CC=C(C=C1)F

Technology Process of 4'-Fluoroacetophenone oxime

There total 10 articles about 4'-Fluoroacetophenone oxime 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%

1-(4-fluorophenyl)ethanone (403-42-9) → 1-(4-fluorophenyl)ethanone oxime (329-79-3)

Guidance literature:

With hydroxylamine hydrochloride; sodium acetate; In ethanol; water; Reflux;

DOI:10.1021/acs.orglett.5b03462

Reference yield: 99.0%

→ 1-(4-fluorophenyl)ethanone oxime (329-79-3)

Guidance literature:

With hydroxylamine hydrochloride; sodium hydroxide; In ethanol; for 3h; Reflux;

Reference yield: 78.0%

1-(4-fluorophenyl)ethanone (403-42-9) → 1-(4-fluorophenyl)ethanone oxime (329-79-3) + 4'-fluoroacetanilide (351-83-7)

Guidance literature:

With acetylhydroxamic acid; sulfuric acid; In acetonitrile; at 80 ℃; for 0.166667h; under 1292.9 Torr; Microwave irradiation;

DOI:10.1016/j.tetlet.2011.09.019

upstream raw materials:

Nitroethane

fluorobenzene

1-(4-Fluoro-phenyl)-1-hydroxyamino-ethanol

1-(4-fluorophenyl)ethanone

Downstream raw materials:

1-(4-fluoro-phenyl)-ethanone-((E)-O-picryl oxime )

ethyl-(4-fluoro-phenyl)-amine

1-(4-fluorophenyl)ethylamine

1-(4-fluorophenyl)ethanone O-(3-amino-5-nitrophenyl)oxime

Refernces

• 1、 Liang, Jingwen,Rao, Yingqi,Zhu, Weidong,Wen, Tingting,Huang, Junjie,Chen, Zhichao,Chen, Lu,Li, Yibiao,Chen, Xiuwen,Zhu, Zhongzhi. "AgNO3as Nitrogen Source for Cu-Catalyzed Cyclization of Oximes with Isocyanates: A Facile Route to N-2-Aryl-1,2,3-triazoles". supporting information. p. 7028 - 7032. Retrieved 2021/09/14.
• 2、 Li, Xiaolan,Sun, Kai,Shen, Wenjuan,Zhang, Yong,Lu, Ming-Zhu,Luo, Xuzhong,Luo, Haiqing. "Rhodium(III)-Catalyzed Direct C-H Arylation of Various Acyclic Enamides with Arylsilanes". supporting information. p. 31 - 36. Retrieved 2021/01/09.