N-(4-cyanophenyl)-2,2,2-trifluoroacetamide

Base Information

• Chemical Name: N-(4-cyanophenyl)-2,2,2-trifluoroacetamide
• CAS No.: 62926-88-9
• Molecular Formula: C9H5F3N2O
• Molecular Weight: 214.147
• DSSTox Substance ID: DTXSID70351091
• Nikkaji Number: J1.105.105G
• Wikidata: Q82127219
• Mol file: 62926-88-9.mol

Synonyms:N-(4-cyanophenyl)-2,2,2-trifluoroacetamide;62926-88-9;SCHEMBL5785443;DTXSID70351091;HMS1787P05;STK029788;AKOS000485945;AG-205/10276055;Z56968163;N-(4-cyanophenyl)-alpha, alpha, alpha-trifluoroacetoamide

Chemical Property of N-(4-cyanophenyl)-2,2,2-trifluoroacetamide

Chemical Property:

• PSA: 52.89000
• LogP: 2.13208
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 214.03539727
• Heavy Atom Count: 15
• Complexity: 284

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C#N)NC(=O)C(F)(F)F

Technology Process of N-(4-cyanophenyl)-2,2,2-trifluoroacetamide

There total 10 articles about N-(4-cyanophenyl)-2,2,2-trifluoroacetamide 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: 90.0%

4-Cyanochlorobenzene (623-03-0) + 2,2,2-trifluoroacetamide (354-38-1) → N-(4-cyanophenyl)-2,2,2-trifluoroacetamide (62926-88-9)

Guidance literature:

With potassium phosphate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; In tert-butyl alcohol; at 90 ℃; for 4h;

DOI:10.1021/ja0717414

Reference yield: 88.0%

trifluoroacetic anhydride (407-25-0) + 4-Aminobenzonitrile (873-74-5) → N-(4-cyanophenyl)-2,2,2-trifluoroacetamide (62926-88-9)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 19h;

DOI:10.1021/acs.jmedchem.7b00233

Reference yield: 85.0%

4-Aminobenzonitrile (873-74-5) + GENERIC INORGANIC CATION; trifluoro-acetate → N-(4-cyanophenyl)-2,2,2-trifluoroacetamide (62926-88-9)

Guidance literature:

for 0.25h; Irradiation;

DOI:10.1039/a807426g

upstream raw materials:

trifluoroacetic anhydride

4-Aminobenzonitrile

ethyl trifluoroacetate,

sodium hydrogencarbonate

Downstream raw materials:

4-cyano-N-methylaniline

4-<(4-cyanophenyl)-N-methylamino>-4-oxobutanoic acid

N-Methyl-N-(4-thiocarbamoyl-phenyl)-succinamic acid

methyl 4-<(4-cyanophenyl)-N-methylamino>-4-oxobutanoate

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