2-Methyl-n-[4-nitro-3-(trifluoromethyl)phenyl]oxirane-2-carboxamide

Base Information

• Chemical Name: 2-Methyl-n-[4-nitro-3-(trifluoromethyl)phenyl]oxirane-2-carboxamide
• CAS No.: 90357-50-9
• Molecular Formula: C11H9F3N2O4
• Molecular Weight: 290.199
• European Community (EC) Number: 618-535-9
• DSSTox Substance ID: DTXSID00555262

Synonyms:2-methyl-n-[4-nitro-3-(trifluoromethyl)phenyl]oxirane-2-carboxamide;90357-50-9;SCHEMBL4732504;DTXSID00555262;4-nitro-3-trifluoromethyl-N-[2,3-epoxy-2-methyl propionyl]aniline

Chemical Property of 2-Methyl-n-[4-nitro-3-(trifluoromethyl)phenyl]oxirane-2-carboxamide

Chemical Property:

• PSA: 90.94000
• LogP: 3.51370
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 290.05144126
• Heavy Atom Count: 20
• Complexity: 423

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CO1)C(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F

Technology Process of 2-Methyl-n-[4-nitro-3-(trifluoromethyl)phenyl]oxirane-2-carboxamide

There total 5 articles about 2-Methyl-n-[4-nitro-3-(trifluoromethyl)phenyl]oxirane-2-carboxamide 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: 89.0%

2-methyl-N-<4-nitro-3-(trifluoromethyl)phenyl>-2-propenamide (90357-52-1) → 1,2-epoxy-2-methyl-N-<4-nitro-3-(trifluoromethyl)phenyl>propanamide (90357-50-9)

Guidance literature:

With dihydrogen peroxide; trifluoroacetic anhydride; In dichloromethane; at 20 ℃; for 24h; Inert atmosphere;

DOI:10.1016/j.ejmech.2016.04.052

Reference yield:

C11H10ClF3N2O4 (65925-47-5) → 1,2-epoxy-2-methyl-N-<4-nitro-3-(trifluoromethyl)phenyl>propanamide (90357-50-9)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In dichloromethane; at 20 ℃; for 2.5h;

DOI:10.1016/j.tetlet.2013.02.065

Reference yield:

4-nitro-3-(trifluoromethyl)phenyl isocyanate (16588-72-0) + rac-2-methyloxirane-2-carboxylic acid (38649-35-3) → C11H10ClF3N2O4 (65925-47-5) + 1,2-epoxy-2-methyl-N-<4-nitro-3-(trifluoromethyl)phenyl>propanamide (90357-50-9)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 42h;

DOI:10.1016/j.tetlet.2013.02.065

upstream raw materials:

2-methyl-N-<4-nitro-3-(trifluoromethyl)phenyl>-2-propenamide

4-nitro-3-(trifluoromethyl)benzeneamine

4-nitro-3-(trifluoromethyl)phenyl isocyanate

rac-2-methyloxirane-2-carboxylic acid

Downstream raw materials:

3-(2-Chloro-phenylsulfanyl)-2-hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-phenyl)-propionamide

2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-phenyl)-3-pentylsulfanyl-propionamide

3-(4-Cyano-phenylsulfanyl)-2-hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-phenyl)-propionamide

4-nitro-3-trifluoromethyl-N-[2-hydroxy-2-methyl-3-(thiazol-2-ylthio)propionyl]aniline

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