N-(4-Bromo-2-nitrophenyl)-2-chloropropanamide

Base Information

• Chemical Name: N-(4-Bromo-2-nitrophenyl)-2-chloropropanamide
• CAS No.: 868771-26-0
• Molecular Formula: C9H8BrClN2O3
• Molecular Weight: 307.52842
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID70470079
• Mol file: 868771-26-0.mol

Synonyms:N-(4-Bromo-2-nitrophenyl)-2-chloropropanamide;868771-26-0;DTXSID70470079

Chemical Property of N-(4-Bromo-2-nitrophenyl)-2-chloropropanamide

Chemical Property:

• PSA: 78.41000
• LogP: 4.09580
• Storage Temp.: 2-8°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 305.94068
• Heavy Atom Count: 16
• Complexity: 284

Purity/Quality:

99% ^*data from raw suppliers

N-(4-Bromo-2-nitrophenyl)-2-chloropropanamide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-(4-Bromo-2-nitrophenyl)-2-chloropropanamide

There total 3 articles about N-(4-Bromo-2-nitrophenyl)-2-chloropropanamide 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: 94.0%

N-(4-bromophenyl)-2-chloropropanamide (21262-08-8) → N-(4-bromo-2-nitro-phenyl)-2-chloro-propionamide (868771-26-0)

Guidance literature:

With potassium nitrate; In sulfuric acid; at 20 ℃; for 1h;

DOI:10.3987/COM-05-10461

Reference yield:

4-bromo-aniline (106-40-1) → N-(4-bromo-2-nitro-phenyl)-2-chloro-propionamide (868771-26-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 99 percent / toluene / 1 h / 120 °C

2: 94 percent / KNO₃ / H₂SO₄ / 1 h / 20 °C

With potassium nitrate; In sulfuric acid; toluene;

DOI:10.3987/COM-05-10461

Reference yield:

4-bromo-aniline (106-40-1) → N-(4-bromo-2-nitro-phenyl)-2-chloro-propionamide (868771-26-0)

Guidance literature:

Multi-step reaction with 2 steps

1: toluene / Heating

2: sulfuric acid; potassium nitrate / cooling

With sulfuric acid; potassium nitrate; In toluene;

DOI:10.1080/00397910500213880

upstream raw materials:

N-(4-bromophenyl)-2-chloropropanamide

4-bromo-aniline

Downstream raw materials:

N-(2-amino-4-bromo-phenyl)-2-chloro-propionamide

6-bromo-3-methyl-3,4-dihydro-1H-quinoxalin-2-one