N-(4-chloro-2-nitrophenyl)-3-oxobutanamide

Base Information

• Chemical Name: N-(4-chloro-2-nitrophenyl)-3-oxobutanamide
• CAS No.: 34797-69-8
• Molecular Formula: C10H9ClN2O4
• Molecular Weight: 256.645
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID00385182
• Nikkaji Number: J43.021H
• Wikidata: Q72455983
• Mol file: 34797-69-8.mol

Synonyms:34797-69-8;N-(4-chloro-2-nitrophenyl)-3-oxobutanamide;N-(4-Chloro-2-nitro-phenyl)-3-oxo-butyramide;N-{4-chloro-2-nitrophenyl}-3-oxobutanamide;N-(4-Chloro-2-nitrophenyl)-3-oxobutyramide;CBDivE_000975;SCHEMBL9652287;DTXSID00385182;MFCD00071560;AKOS001044855;P-CHLORO-O-NITROACETOACETANILIDE;AS-11827;UPCMLD0ENAT0512-4593:001;CS-0275783;FT-0712846;AB00073977-01;A874860;AE-848/07520003;SR-01000195914;J-523045;SR-01000195914-1;Z56871571;1-(3,4,5-TRIMETHOXYPHENYL)-PIPERAZINEHYDROCHLORIDE

Chemical Property of N-(4-chloro-2-nitrophenyl)-3-oxobutanamide

Chemical Property:

• Melting Point: 87 °C
• Boiling Point: 458.282 °C at 760 mmHg
• PKA: 10.50±0.46(Predicted)
• Flash Point: 230.961 °C
• PSA: 91.99000
• Density: 1.455 g/cm³
• LogP: 2.76200
• Storage Temp.: 2-8°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 256.0250845
• Heavy Atom Count: 17
• Complexity: 329

Purity/Quality:

99.5% ^*data from raw suppliers

N-(4-Chloro-2-nitro-phenyl)-3-oxo-butyramide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-(4-chloro-2-nitrophenyl)-3-oxobutanamide

There total 2 articles about N-(4-chloro-2-nitrophenyl)-3-oxobutanamide 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:

4'-Chloroacetoacetanilide (101-92-8) → p-chloro-o-nitroacetoacetanilide (34797-69-8)

Guidance literature:

With sulfuric acid; nitric acid;

Reference yield:

→ p-chloro-o-nitroacetoacetanilide (34797-69-8)

Guidance literature:

4-Chlor-2-nitroanilid, Ethylacetoacetat;

Reference yield:

p-chloro-o-nitroacetoacetanilide (34797-69-8) → quinoxalin-2(1)-one (1196-57-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 68 percent Chromat_. / Ba(OH)2 / 9 h / 60 - 65 °C

2: 4.8 percent Chromat_. / H₂ / 10percent Pd/C / Ambient temperature

With barium dihydroxide; hydrogen; palladium on activated charcoal;

upstream raw materials:

4'-Chloroacetoacetanilide

Downstream raw materials:

6-chloro-3-methyl-2(1H)-quinoxalinone

6-chloro-3-hydroxy-2(1H)-quinoxalinone

6-chloro-1,2-dihydro-2-oxoquinoxaline 4-oxide

3-acetyl-6-chloro-2(1H)-quinoxalinone-4-oxide