2,2,2-Trifluoro-N-(2-phenylethyl)acetamide

Base Information

• Chemical Name: 2,2,2-Trifluoro-N-(2-phenylethyl)acetamide
• CAS No.: 458-85-5
• Molecular Formula: C10H10F3NO
• Molecular Weight: 217.191
• Hs Code.: 2924299090
• NSC Number: 128826
• DSSTox Substance ID: DTXSID10299226
• Nikkaji Number: J526.458H
• Wikidata: Q82041482
• Mol file: 458-85-5.mol

Synonyms:2,2,2-Trifluoro-N-(2-phenylethyl)acetamide;458-85-5;Acetamide, 2,2,2-trifluoro-N-(2-phenylethyl)-;2,2,2-trifluoro-N-phenethylacetamide;NSC128826;trifluoroacetylphenylethylamine;N-trifluoroacetylphenethylamine;N-(phenethyl)trifluoroacetamide;SCHEMBL3833319;DTXSID10299226;STL220824;Acetamide,2,2-trifluoro-N-phenethyl-;AKOS003860395;2,2,2-trifluoro-N-phenethyl-acetamide;NSC-128826;Acetamide, 2,2,2-trifluoro-N-phenethyl-;N-(2-phenylethyl)-2,2,2-trifluoroacetamide;Acetamide,2,2-trifluoro-N-(2-phenylethyl)-;2,2,2-Trifluoro-N-(2-phenylethyl)acetamide #;Acetamide,2,2,2-trifluoro-N-(2-phenylethyl)-;AT-137/40171212;ACETAMIDE,2,2,2-TRIFLUORO-N- (2-PHENYLETHYL)-

Chemical Property of 2,2,2-Trifluoro-N-(2-phenylethyl)acetamide

Chemical Property:

• Vapor Pressure: 0.00164mmHg at 25°C
• Boiling Point: 294.2°Cat760mmHg
• Flash Point: 131.7°C
• PSA: 29.10000
• Density: 1.222g/cm³
• LogP: 2.29850
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 217.07144843
• Heavy Atom Count: 15
• Complexity: 209

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,2,2-Trifluoro-N-(2-phenylethyl)acetamide

There total 11 articles about 2,2,2-Trifluoro-N-(2-phenylethyl)acetamide 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: 100.0%

phenethylamine (64-04-0) → 2,2,2-trifluoro-N-(2-phenylethyl)acetamide (458-85-5)

Guidance literature:

With pyridine; trifluoroacetic anhydride; In dichloromethane;

Reference yield: 99.3%

phenethylamine (64-04-0) + trifluoroacetic anhydride (407-25-0) → 2,2,2-trifluoro-N-(2-phenylethyl)acetamide (458-85-5)

Guidance literature:

phenethylamine; With triethylamine; In dichloromethane; at -5 ℃;

trifluoroacetic anhydride; In dichloromethane; at 22 ℃; for 0.166667h;

In dichloromethane; at 20 ℃; for 0.5h;

Reference yield: 97.0%

phenethylamine (64-04-0) + trifluoroacetic acid (76-05-1) → 2,2,2-trifluoro-N-(2-phenylethyl)acetamide (458-85-5)

Guidance literature:

phenethylamine; With triethylamine; In dichloromethane; at 0 - 20 ℃; for 0.25h; Inert atmosphere;

trifluoroacetic acid; In dichloromethane; at 20 ℃; Inert atmosphere;

DOI:10.1039/c9cc04111g

upstream raw materials:

ethyl trifluoroacetate,

phenethylamine

trifluoroacetic anhydride

2,2,2-trifluoro-N-(2-oxo-2-phenylethyl)acetamide

Downstream raw materials:

2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline

2,2,2-Trifluoro-N-(2-(4-iodophenyl)ethyl)acetamide

2,2,2-trifluoro-N-[2-(4-isobutyryl-phenyl)-ethyl]-acetamide

N-[2-(4-Acetylphenyl)ethyl]-2,2,2-trifluoroacetamide