Acetamide, N-[1-[4-(trifluoromethyl)phenyl]ethenyl]-

Base Information

• Chemical Name: Acetamide, N-[1-[4-(trifluoromethyl)phenyl]ethenyl]-
• CAS No.: 177750-09-3
• Molecular Formula: C11H10F3NO
• Molecular Weight: 229.202
• DSSTox Substance ID: DTXSID30472892
• Nikkaji Number: J1.032.994I
• Wikidata: Q82302082
• Mol file: 177750-09-3.mol

Synonyms:177750-09-3;Acetamide, N-[1-[4-(trifluoromethyl)phenyl]ethenyl]-;N-(1-(4-(TRIFLUOROMETHYL)PHENYL)VINYL)ACETAMIDE;SCHEMBL7723686;DTXSID30472892;KHNXDYZNFVIWAG-UHFFFAOYSA-N

Chemical Property of Acetamide, N-[1-[4-(trifluoromethyl)phenyl]ethenyl]-

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 229.07144843
• Heavy Atom Count: 16
• Complexity: 277

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Acetamide, N-[1-[4-(trifluoromethyl)phenyl]ethenyl]-

There total 6 articles about Acetamide, N-[1-[4-(trifluoromethyl)phenyl]ethenyl]- 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: 92.0%

4-trifluoromethylphenylacetylene (705-31-7) + 3-methyl-5H-1,4,2-dioxazol-5-one → N-(1-(4-(trifluoromethyl)phenyl)vinyl)acetamide (177750-09-3)

Guidance literature:

With nickel(II) bromide dimethoxyethane; (dimethoxy)methylsilane; water; 6-methyl-2,2'-bipyridine; at 25 ℃; for 8h; regioselective reaction; Inert atmosphere;

DOI:10.1021/jacs.1c01138

Reference yield: 87.0%

1-[4-(trifluoromethyl)phenyl]ethanone oxime (15996-83-5) + acetic anhydride (108-24-7) → N-(1-(4-(trifluoromethyl)phenyl)vinyl)acetamide (177750-09-3)

Guidance literature:

With iron(II) acetate; acetic acid; In tetrahydrofuran; at 65 ℃; Inert atmosphere;

DOI:10.1021/jo902259u

Reference yield: 49.0%

4-CF3C6H4CN (455-18-5) + methylmagnesium bromide (75-16-1) + acetic anhydride (108-24-7) → N-(1-(4-(trifluoromethyl)phenyl)vinyl)acetamide (177750-09-3)

Guidance literature:

4-CF₃C₆H₄CN; methylmagnesium bromide; In diethyl ether; for 8h; Heating;

acetic anhydride; In diethyl ether; for 8h; Heating;

DOI:10.1002/ejoc.200600024

upstream raw materials:

4-CF₃C₆H₄CN

methylmagnesium bromide

acetic anhydride

1-[4-(trifluoromethyl)phenyl]ethanone oxime

Downstream raw materials:

N-acetyl-1-methyl-1-(4-trifluoromethylphenyl)allylamine

1-methyl-3-phenyl-6-(trifluoromethyl)isoquinoline