3-(2-Chloro-6-nitrophenyl)-2-oxopropanoic acid

Base Information

• Chemical Name: 3-(2-Chloro-6-nitrophenyl)-2-oxopropanoic acid
• CAS No.: 36892-19-0
• Molecular Formula: C9H6 Cl N O5
• Molecular Weight: 243.603
• NSC Number: 105301
• DSSTox Substance ID: DTXSID10295743
• Wikidata: Q82035865
• Mol file: 36892-19-0.mol

Synonyms:3-(2-chloro-6-nitrophenyl)-2-oxopropanoic acid;36892-19-0;NSC105301;NCIOpen2_007157;SCHEMBL16585312;DTXSID10295743;ARJ100844;NSC-105301;EN300-1985183

Chemical Property of 3-(2-Chloro-6-nitrophenyl)-2-oxopropanoic acid

Chemical Property:

• Vapor Pressure: 6.03E-07mmHg at 25°C
• Boiling Point: 394.9°C at 760 mmHg
• Flash Point: 192.6°C
• Density: 1.578g/cm³
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 242.9934500
• Heavy Atom Count: 16
• Complexity: 314

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(2-Chloro-6-nitrophenyl)-2-oxopropanoic acid

There total 6 articles about 3-(2-Chloro-6-nitrophenyl)-2-oxopropanoic acid 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:

6-chloro-2-nitrotoluene (83-42-1) → (2-chloro-6-nitro-phenyl)-pyruvic acid (36892-19-0)

Guidance literature:

Multi-step reaction with 2 steps

1: EtOK / ethanol / Heating

2: aq. HCl

With hydrogenchloride; potassium ethoxide; In ethanol;

DOI:10.1021/jm00400a009

Reference yield:

6-chloro-2-nitrotoluene (83-42-1) + oxalic acid diethyl ester (95-92-1) → (2-chloro-6-nitro-phenyl)-pyruvic acid (36892-19-0)

Guidance literature:

With sodium ethanolate;

Reference yield:

3-(2-Chloro-6-nitro-phenyl)-2-oxo-propionic acid ethyl ester → (2-chloro-6-nitro-phenyl)-pyruvic acid (36892-19-0)

Guidance literature:

With hydrogenchloride;

DOI:10.1021/jm00400a009

upstream raw materials:

6-chloro-2-nitrotoluene

sodium ethanolate

oxalic acid diethyl ester

Dimethyl oxalate

Downstream raw materials:

4-chloroindolin-2-one

4-chloro-1-hydroxy-indolin-2-one

4-chloro-1H-indole-2-carboxylic acid

(2-chloro-6-nitro-phenyl)-acetic acid