N-(4-methoxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide

Base Information

• Chemical Name: N-(4-methoxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide
• CAS No.: 220903-57-1
• Molecular Formula: C₁₂H₁₃F₃N₂O₃
• Molecular Weight: 290.242
• DSSTox Substance ID: DTXSID501174586
• Mol file: 220903-57-1.mol

Synonyms:220903-57-1;DTXSID501174586;N-(4-methoxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide

Chemical Property of N-(4-methoxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 290.08782677
• Heavy Atom Count: 20
• Complexity: 352

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C(=O)NC1=CC=C(C=C1)OC)NC(=O)C(F)(F)F

Technology Process of N-(4-methoxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide

There total 2 articles about N-(4-methoxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide 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: 78.0%

trifluoroacetic anhydride (407-25-0) + 2-amino-N-(4-methoxyphenyl)propanamide (220903-53-7) → N-(4-methoxyphenyl)-2-(trifluoroacetylamino)propanamide (220903-57-1)

Guidance literature:

With pyridine; In dichloromethane;

DOI:10.1021/jm960783s

Reference yield:

<(tert-butyloxycarbonyl)amino>-N-(4-methoxyphenyl)propanamide (220903-51-5) → N-(4-methoxyphenyl)-2-(trifluoroacetylamino)propanamide (220903-57-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 85 percent / CF₃COOH / 1 h / 20 °C

2: 78 percent / pyridine / CH₂Cl₂

With pyridine; trifluoroacetic acid; In dichloromethane;

DOI:10.1021/jm960783s

Reference yield:

N-(4-methoxyphenyl)-2-(trifluoroacetylamino)propanamide (220903-57-1) → N-(4-methoxyphenyl)-2-(methylamino)propanamide (220903-55-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) NaH / 1.) DMF, 20 deg C, 2 h, 2.) DMF, 20 deg C, 8h

2: 86 percent / Cs₂CO₃ / methanol; H₂O / 0.5 h / Heating

With sodium hydride; caesium carbonate; In methanol; water;

DOI:10.1021/jm960783s

upstream raw materials:

trifluoroacetic anhydride

2-amino-N-(4-methoxyphenyl)propanamide

<(tert-butyloxycarbonyl)amino>-N-(4-methoxyphenyl)propanamide

Downstream raw materials:

N-(4-methoxyphenyl)-2-propanamide

N-(4-methoxyphenyl)-2-(methylamino)propanamide