Methyl 2-chloro-3-nitrobenzoate

Base Information

• Chemical Name: Methyl 2-chloro-3-nitrobenzoate
• CAS No.: 53553-14-3
• Molecular Formula: C8H6ClNO4
• Molecular Weight: 215.593
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID20968315
• Nikkaji Number: J851.943I
• Wikidata: Q82951076
• Mol file: 53553-14-3.mol

Synonyms:METHYL 2-CHLORO-3-NITROBENZOATE;53553-14-3;C8H6ClNO4;2-Chloro-3-nitrobenzoic acid methyl ester;Benzoic acid, 2-chloro-3-nitro-, methyl ester;MFCD00482383;METHYL2-CHLORO-3-NITROBENZOATE;Benzoicacid, 2-chloro-3-nitro-, methyl ester;SCHEMBL544309;DTXSID20968315;JBCQPBVZKBEHNF-UHFFFAOYSA-N;2-chloro-3-methoxycarbonylnitrobenzene;AKOS005138017;2-Chloro-3-methoxycarbonyl-nitrobenzene;METHYL-2-CHLORO-3-NITROBENZOATE;SY173175;2-Chloro-3-nitro-benzoic acid methyl ester;2-Chloro-3-nitrobenzoic acid, methyl ester;CS-0042098;FT-0750994;EN300-199850;A846894;methyl 2Methyl 2-chloro-3-nitrobenzoate-chloro-3-nitrobenzoate

Chemical Property of Methyl 2-chloro-3-nitrobenzoate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.568
• Boiling Point: 319.531 °C at 760 mmHg
• Flash Point: 147.047 °C
• PSA: 72.12000
• Density: 1.427 g/cm³
• LogP: 2.55800
• Storage Temp.: 2-8°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 214.9985354
• Heavy Atom Count: 14
• Complexity: 240

Purity/Quality:

95%+ ^*data from raw suppliers

methyl2-chloro-3-nitrobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 2-chloro-3-nitrobenzoate

There total 9 articles about Methyl 2-chloro-3-nitrobenzoate 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: 100.0%

methanol (67-56-1) + 2-chloro-3-nitrobezoic acid (3970-35-2) → 2-chloro-3-nitrobenzoic acid methyl ester (53553-14-3)

Guidance literature:

2-chloro-3-nitrobezoic acid; With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 0 - 20 ℃; for 6h;

methanol; In dichloromethane;

Reference yield: 100.0%

→ 2-chloro-3-nitrobenzoic acid methyl ester (53553-14-3)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 20 ℃;

In dichloromethane;

Reference yield: 99.0%

2-chloro-3-nitrobezoic acid (3970-35-2) → 2-chloro-3-nitrobenzoic acid methyl ester (53553-14-3)

Guidance literature:

With sulfuric acid; In methanol;

upstream raw materials:

methanol

2-chloro-3-nitrobezoic acid

diazomethyl-trimethyl-silane

Trimethyl orthoacetate

Downstream raw materials:

2',3-dicarbomethoxy-5-hydroxy-6'-nitrodiphenyl ether

methyl 2-(methylthio)-3-nitrobenzoate

2-Methoxycarbonyl-6-nitro-diphenylsulfid

2-benzylthio-3-nitrobenzoic acid methyl ester

Refernces

• 1、 -. "TRANSGLUTAMINASE 2 (TG2) INHIBITORS". Paragraph 00764. . Retrieved 2020/03/02.
• 2、 -. "PROTEIN KINASE INHIBITORS FOR PROMOTING LIVER REGENERATION OR REDUCING OR PREVENTING HEPATOCYTE DEATH". Page/Page column 32; 64; 65. . Retrieved 2018/08/12.