3-amino-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide

Base Information

• Chemical Name: 3-amino-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
• CAS No.: 279228-81-8
• Molecular Formula: C11H12F3N3O4
• Molecular Weight: 307.229
• European Community (EC) Number: 608-146-2
• DSSTox Substance ID: DTXSID70434297
• Nikkaji Number: J3.143.029A
• Mol file: 279228-81-8.mol

Synonyms:3-amino-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide;279228-81-8;BP 34;4-nitro-3-trifluoromethyl-N-(2-hydroxy-2-methyl-3-amino-propionyl)aniline;SCHEMBL2641121;DTXSID70434297;4-nitro-3-trifluoromethyl-N-(2-hydroxy-2-methyl-3-aminopropionyl)aniline;N-[4-Nitro-3-(trifluoromethyl)phenyl]-3-amino-2-hydroxy-2-methylpropanamide

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

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 520.365oC at 760 mmHg
• PKA: 10.71±0.50(Predicted)
• Flash Point: 268.507oC
• PSA: 124.66000
• Density: 1.52
• LogP: 3.13480
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 307.07799036
• Heavy Atom Count: 21
• Complexity: 413

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 1 articles about 3-amino-2-hydroxy-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: 58.0%

1,2-epoxy-2-methyl-N-<4-nitro-3-(trifluoromethyl)phenyl>propanamide (90357-50-9) → (3-amino-2-hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl)phenyl)propanamide (279228-81-8)

Guidance literature:

With ammonia; In methanol;

Reference yield: 84.0%

(3-amino-2-hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl)phenyl)propanamide (279228-81-8) + cyclohexylmethyl isothiocyanate (52395-66-1) → 3-((((cyclohexylmethyl)amino)thioxomethyl)amino)-2-hydroxy-2-methyl-N(4-nitro-3-(trifluoromethyl)phenyl)propanamide (279229-03-7)

Guidance literature:

With triethylamine; In tetrahydrofuran;

Reference yield: 67.0%

(3-amino-2-hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl)phenyl)propanamide (279228-81-8) → 3-((((4-bromophenyl)amino)thioxomethyl)amino)-2-hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide

Guidance literature:

With triethylamine; In tetrahydrofuran;

upstream raw materials:

1,2-epoxy-2-methyl-N-<4-nitro-3-(trifluoromethyl)phenyl>propanamide

Downstream raw materials:

3-((((cyclohexylmethyl)amino)thioxomethyl)amino)-2-hydroxy-2-methyl-N(4-nitro-3-(trifluoromethyl)phenyl)propanamide

Refernces

• 1、 -. "Androgen receptor suppressors in the therapy and diagnosis of prostate cancer, alopecia and other hyper-androgenic syndromes". . . Retrieved 2008/06/13.