Propanamide, N-(4-chloro-2-nitrophenyl)-2-hydroxy-2-methyl-

Base Information

• Chemical Name: Propanamide, N-(4-chloro-2-nitrophenyl)-2-hydroxy-2-methyl-
• CAS No.: 124188-36-9
• Molecular Formula: C10H11ClN2O4
• Molecular Weight: 258.661
• DSSTox Substance ID: DTXSID70479724
• Wikidata: Q82313899
• Mol file: 124188-36-9.mol

Synonyms:Propanamide, N-(4-chloro-2-nitrophenyl)-2-hydroxy-2-methyl-;124188-36-9;SCHEMBL6348671;DTXSID70479724

Chemical Property of Propanamide, N-(4-chloro-2-nitrophenyl)-2-hydroxy-2-methyl-

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 258.0407345
• Heavy Atom Count: 17
• Complexity: 316

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Propanamide, N-(4-chloro-2-nitrophenyl)-2-hydroxy-2-methyl-

There total 4 articles about Propanamide, N-(4-chloro-2-nitrophenyl)-2-hydroxy-2-methyl- 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: 98.0%

2-(4-chloro-2-nitrophenoxy)-2-methylpropanamide (124188-20-1) → 2-hydroxy-2-methyl-N-(4-chloro-2-nitrophenyl)propionamide (124188-36-9)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide;

Reference yield: 62.0%

2-bromo-2-methylpropanamide (7462-74-0) + p-chloro-o-nitrophenol (89-64-5) → 2-hydroxy-2-methyl-N-(4-chloro-2-nitrophenyl)propionamide (124188-36-9)

Guidance literature:

With isocyanate de chlorosulfonyle; caesium carbonate; In acetonitrile; at 78 ℃; for 1h;

DOI:10.1055/s-2004-837302

Reference yield:

2-(4-chlorophenoxy)-2-methylpropanamide (5658-61-7) → 2-hydroxy-2-methyl-N-(4-chloro-2-nitrophenyl)propionamide (124188-36-9)

Guidance literature:

Multi-step reaction with 2 steps

1: nitric acid, acetic anhydide, trifluoroacetic anhydride, / CDCl₃ / -60 °C

2: 98 percent / sodium hydride / dimethylformamide

With nitric acid; acetic anhydride; sodium hydride; trifluoroacetic anhydride; In chloroform-d1; N,N-dimethyl-formamide;

upstream raw materials:

2-(4-chloro-2-nitrophenoxy)-2-methylpropanamide

2-bromo-2-methylpropanamide

p-chloro-o-nitrophenol

2-(4-chlorophenoxy)-2-methylpropanamide