Acetamide, 2,2,2-trifluoro-N-[4-(phenylamino)phenyl]-

Base Information

• Chemical Name: Acetamide, 2,2,2-trifluoro-N-[4-(phenylamino)phenyl]-
• CAS No.: 162557-83-7
• Molecular Formula: C14H11F3N2O
• Molecular Weight: 280.249
• DSSTox Substance ID: DTXSID70395293
• Nikkaji Number: J2.821.467G
• Wikidata: Q82195286
• Mol file: 162557-83-7.mol

Synonyms:Acetamide, 2,2,2-trifluoro-N-[4-(phenylamino)phenyl]-;162557-83-7;DTXSID70395293;AKOS003798418;N-[4-(Phenylamino)phenyl]-2,2,2-trifluoroacetamide

Chemical Property of Acetamide, 2,2,2-trifluoro-N-[4-(phenylamino)phenyl]-

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 280.08234746
• Heavy Atom Count: 20
• Complexity: 319

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C(F)(F)F

Technology Process of Acetamide, 2,2,2-trifluoro-N-[4-(phenylamino)phenyl]-

There total 3 articles about Acetamide, 2,2,2-trifluoro-N-[4-(phenylamino)phenyl]- 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: 93.0%

trifluoroacetic acid (76-05-1) + N-phenylphenylene-1,4-diamine (101-54-2) → N-<4-(phenylamino)phenyl>-2,2,2-trifluoroacetamide (162557-83-7)

Guidance literature:

With triethylamine; trichloroacetonitrile; triphenylphosphine; In acetonitrile; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1016/j.tetlet.2009.11.105

Reference yield: 92.0%

1-(trifluoroacetyl)benzotriazole (183266-61-7) + N-phenylphenylene-1,4-diamine (101-54-2) → 1,2,3-Benzotriazole (95-14-7,27556-51-0) + N-<4-(phenylamino)phenyl>-2,2,2-trifluoroacetamide (162557-83-7)

Guidance literature:

In tetrahydrofuran; for 5h; Ambient temperature;

DOI:10.1021/jo961537r

Reference yield:

trifluoroacetic anhydride (407-25-0) + N-phenylphenylene-1,4-diamine (101-54-2) → N-<4-(phenylamino)phenyl>-2,2,2-trifluoroacetamide (162557-83-7)

Guidance literature:

In acetonitrile; Rate constant;

DOI:10.1021/ja00131a016

upstream raw materials:

trifluoroacetic anhydride

N-phenylphenylene-1,4-diamine

1-(trifluoroacetyl)benzotriazole

trifluoroacetic acid

Downstream raw materials:

1,1-Diethyl-3-(4-phenylamino-phenyl)-thiourea

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