3,3,3-Trifluoro-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide

Base Information

• Chemical Name: 3,3,3-Trifluoro-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
• CAS No.: 131131-33-4
• Molecular Formula: C₁₁H₈F₆N₂O₃
• Molecular Weight: 330.187
• ChEMBL ID: CHEMBL434420
• DSSTox Substance ID: DTXSID50564001,DTXSID80876649
• Nikkaji Number: J360.282F
• Mol file: 131131-33-4.mol

Synonyms:131131-33-4;3,3,3-Trifluoro-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide;CHEMBL434420;DTXSID50564001;DTXSID80876649;PROPANAMIDE, 3,3,3-TRIFLUORO-2-METHYL-N-[4-NITRO;104668-67-9

Chemical Property of 3,3,3-Trifluoro-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide

Chemical Property:

• PSA: 78.41000
• LogP: 4.92320
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 330.04391109
• Heavy Atom Count: 22
• Complexity: 431

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F)C(F)(F)F

Technology Process of 3,3,3-Trifluoro-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide

There total 1 articles about 3,3,3-Trifluoro-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]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:

(2RS)-3,3,3-trifluoro-2-methylpropanoic acid (381-97-5) + 4-nitro-3-(trifluoromethyl)benzeneamine (393-11-3) → 3,3,3-Trifluoro-2-methyl-N-(4-nitro-3-trifluoromethyl-phenyl)-propionamide (131131-33-4)

Guidance literature:

With thionyl chloride; ISOPROPYLAMIDE; Multistep reaction; 1.) from -20 to -10 deg C, 30 min, 2.) RT, 3 h;

DOI:10.1021/jm00105a067

upstream raw materials:

(2RS)-3,3,3-trifluoro-2-methylpropanoic acid

4-nitro-3-(trifluoromethyl)benzeneamine