4'-Fluoro-3'-nitroacetophenone

Base Information

• Chemical Name: 4'-Fluoro-3'-nitroacetophenone
• CAS No.: 400-93-1
• Molecular Formula: C8H6FNO3
• Molecular Weight: 183.139
• Hs Code.: 29143990
• European Community (EC) Number: 626-780-8
• DSSTox Substance ID: DTXSID60370392
• Nikkaji Number: J2.016.130B
• Wikidata: Q72475103
• Mol file: 400-93-1.mol

Synonyms:4'-Fluoro-3'-nitroacetophenone;400-93-1;1-(4-fluoro-3-nitrophenyl)ethanone;4-Fluoro-3-nitroacetophenone;ETHANONE, 1-(4-FLUORO-3-NITROPHENYL)-;1-(4-fluoro-3-nitrophenyl)ethan-1-one;MFCD00115369;3'-NITRO-4'-FLUOROACETOPHENONE;1-(4-fluoro-3-nitro-phenyl)ethanone;4' -fluoro-3'-nitroacetophenone;1-(4-fluoro-3-nitrophenyl)-ethanone;3-Nitro-4-fluoracetophenon;SCHEMBL9157;2-fluoro-5-acetyl-nitro benzene;DTXSID60370392;PTCNZDJJIOLIKQ-UHFFFAOYSA-N;4/'-Fluoro-3/'-nitroacetophenone;BBL011191;CK2573;STK932262;AKOS005255441;AC-3620;CS-W017063;1-(4-fluoro-3-nitro-phenyl)-ethanone;4'-Fluoro-3'-nitroacetophenone, 97%;AS-15008;SY019178;A6699;AM20040387;F0777;FT-0601444;EN300-91289;J-515378;4 inverted exclamation mark -Fluoro-3 inverted exclamation mark -nitroacetophenone

Chemical Property of 4'-Fluoro-3'-nitroacetophenone

Chemical Property:

• Appearance/Colour: light yellow crystalline powder
• Melting Point: 46-50 °C
• Boiling Point: 261.2 °C at 760 mmHg
• Flash Point: 111.7 °C
• PSA: 62.89000
• Density: 1.336 g/cm³
• LogP: 2.45970
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 183.03317122
• Heavy Atom Count: 13
• Complexity: 226

Purity/Quality:

99% ^*data from raw suppliers

4''-?Fluoro-?3''-?nitroacetophenone ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)C1=CC(=C(C=C1)F)[N+](=O)[O-]
• Uses: 4''-?Fluoro-?3''-?nitroacetophenone is used as reactant/reagent in preparation of substituted furans via copper-catalyzed radical addition of acetophenones to alkynes.

Technology Process of 4'-Fluoro-3'-nitroacetophenone

There total 3 articles about 4'-Fluoro-3'-nitroacetophenone 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: 91.7%

1-(4-fluorophenyl)ethanone (403-42-9) → 3-nitro-4-fluoroacetophenone (400-93-1)

Guidance literature:

With sulfuric acid; nitric acid; at -30 - -10 ℃;

DOI:10.1016/j.bmc.2019.05.048

Reference yield: 70.0%

C8H6FIO → 3-nitro-4-fluoroacetophenone (400-93-1)

Guidance literature:

With 1,10-Phenanthroline; iron(II) sulfate; potassium nitrate; In dimethyl sulfoxide; at 20 ℃; for 48h; UV-irradiation; Inert atmosphere;

DOI:10.1021/acscatal.1c02272

Reference yield:

→ 3-nitro-4-fluoroacetophenone (400-93-1)

Guidance literature:

upstream raw materials:

1-(4-fluorophenyl)ethanone

Downstream raw materials:

1.2-Bis-<2-nitro-4-acetyl-phenylmercapto>-aethan

<2-Nitro-4-acetyl-phenyl>-β-thionaphthyl-aether

3-Nitro-4-<2-nitro-phenoxy>-acetophenon

4-benzyloxy-3-nitroacetophenone

Refernces

• 1、 Wu, Cunluo,Bian, Qilong,Ding, Tao,Tang, Mingming,Zhang, Wenkai,Xu, Yuanqing,Liu, Baoying,Xu, Hao,Li, Hai-Bei,Fu, Hua. "Photoinduced Iron-Catalyzed ipso-Nitration of Aryl Halides via Single-Electron Transfer". . p. 9561 - 9568. Retrieved 2021/08/06.
• 2、 Hu, Hao,Li, Ming,Wu, Di,Li, Zhiwei,Miao, Ruifeng,Liu, Yajing,Gong, Ping. "Design, synthesis and biological evaluation of novel aryl-acrylic derivatives as novel indoleamine-2,3-dioxygenase 1 (IDO1) inhibitors". . p. 3135 - 3144. Retrieved 2019/06/11.