N-(4-Fluorophenyl)formamide

Base Information

• Chemical Name: N-(4-Fluorophenyl)formamide
• CAS No.: 459-25-6
• Molecular Formula: C7H6 F N O
• Molecular Weight: 139.129
• Hs Code.: 2924297099
• European Community (EC) Number: 653-266-0
• NSC Number: 40549
• DSSTox Substance ID: DTXSID20285115
• Nikkaji Number: J796.589C
• Wikidata: Q82020369
• Mol file: 459-25-6.mol

Synonyms:N-(4-Fluorophenyl)formamide;459-25-6;1-Fluoro-4-formamidobenzene;4-fluorophenylformamide;N-(4-Fluorophenyl)formamidine;p-Fluor-formanilid;NSC40549;4'-Fluoroformanilide;SCHEMBL90440;N-(4-Fluoro-phenyl)-formamide;SCHEMBL21039201;DTXSID20285115;Formamide, N-(4-fluorophenyl)-;GEO-03008;MFCD00021019;NSC-40549;AKOS006349267;N-Formyl derivative of p-fluoroaniline;AS-59113;F0546;EN300-171500;F21300

Chemical Property of N-(4-Fluorophenyl)formamide

Chemical Property:

• Vapor Pressure: 0.00424mmHg at 25°C
• Melting Point: 67 °C
• Boiling Point: 278.5°Cat760mmHg
• Flash Point: 122.3°C
• PSA: 29.10000
• Density: 1.26g/cm³
• LogP: 2.10290
• Storage Temp.: 2-8°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 139.043341977
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

98%,99%, ^*data from raw suppliers

N-(4-Fluorophenyl)formamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1NC=O)F

Technology Process of N-(4-Fluorophenyl)formamide

There total 33 articles about N-(4-Fluorophenyl)formamide 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%

carbon dioxide (124-38-9,18923-20-1) + 4-fluoroaniline (371-40-4) → N-(4-fluorophenyl)formamide (459-25-6)

Guidance literature:

With phenylsilane; C₁₄H₂₄N₄Si*HI; In benzene-d6; at 60 ℃; Inert atmosphere; Schlenk technique;

DOI:10.1021/acscatal.0c03795

Reference yield: 99.0%

formic acid (64-18-6) + 4-fluoroaniline (371-40-4) → N-(4-fluorophenyl)formamide (459-25-6)

Guidance literature:

With CuO impregnated on mesoporous Fe₃O₄ nanocomposite; at 25 ℃;

DOI:10.1002/ejoc.202100872

Reference yield: 97.0%

Methyl formate (107-31-3) + 4-fluoroaniline (371-40-4) → N-(4-fluorophenyl)formamide (459-25-6)

Guidance literature:

With calcium(II) bis(trifluoromethanesulfonyl)imide; In neat (no solvent); at 115 ℃; for 1h; Reagent/catalyst; Microwave irradiation; Sealed tube;

DOI:10.1002/ejoc.201600226

upstream raw materials:

formic acid

4-fluoroaniline

Methyl formate

formyl acetic anhydride

Downstream raw materials:

4-fluoro-N,N-dimethylaniline

4-fluoro-N-methylaniline

4-fluoroaniline

N-(3,4-dichlorophenylmercuri)-4'-fluoroformanilide

Refernces

• 1、 Dong, Ru,Zhang, Cheng,Wang, Chao,Zhou, Xin,Li, Wen,Zhang, Jin-Yang,Wang, Min,Xu, Yong,Sun, Li-Ping. "Design, synthesis and anticancer evaluation of 3-methyl-1H-indazole derivatives as novel selective bromodomain-containing protein 4 inhibitors". . . Retrieved 2022/01/11.
• 2、 Datta Khanal, Hari,Mishra, Kanchan,Rok Lee, Yong. "Facile N-Formylation of Amines on Magnetic Fe3O4?CuO Nanocomposites". . p. 4477 - 4484. Retrieved 2021/08/30.