3-Cyano-5-nitro-benzoic acid methyl ester

Base Information

• Chemical Name: 3-Cyano-5-nitro-benzoic acid methyl ester
• CAS No.: 99066-80-5
• Molecular Formula: C9H6N2O4
• Molecular Weight: 206.158
• Hs Code.: 2926909090
• Mol file: 99066-80-5.mol

Synonyms:3-CYANO-5-NITRO-BENZOIC ACID METHYL ESTER;3-CYANO-5-NITRO-BENZOIC ACID METHYL ESTER >98%

Chemical Property of 3-Cyano-5-nitro-benzoic acid methyl ester

Chemical Property:

• Vapor Pressure: 0.000125mmHg at 25°C
• Refractive Index: 1.568
• Boiling Point: 334.8 °C at 760 mmHg
• Flash Point: 156.3 °C
• PSA: 95.91000
• Density: 1.39 g/cm³
• LogP: 1.77628
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

98%Min ^*data from raw suppliers

Methyl3-Cyano-5-nitrobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-Cyano-5-nitro-benzoic acid methyl ester

There total 3 articles about 3-Cyano-5-nitro-benzoic acid methyl ester 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: 90.0%

5-nitroisophthalamic acid methyl ester (50826-00-1) → methyl 3-cyano-5-nitrobenzoate (99066-80-5)

Guidance literature:

With trichlorophosphate; In 1,2-dichloro-ethane; for 3h; Heating / reflux;

Reference yield:

5-nitro-1,3-benzenedicarboxylic acid, monomethyl ester (1955-46-0) → methyl 3-cyano-5-nitrobenzoate (99066-80-5)

Guidance literature:

With thionyl chloride; SULFAMIDE; In sulfolane; for 42h; Heating;

DOI:10.1002/anie.200460770

Reference yield:

3-amino-5-nitro-benzoic acid methyl ester (23218-93-1) + potassium cyanide (151-50-8) → methyl 3-cyano-5-nitrobenzoate (99066-80-5)

Guidance literature:

With hydrogenchloride; water; copper(l) cyanide; Diazotization_.weiteres Reagens: Benzol; anschliessendes Erwaermen;

DOI:10.1039/jr9470000082

upstream raw materials:

3-amino-5-nitro-benzoic acid methyl ester

potassium cyanide

5-nitro-1,3-benzenedicarboxylic acid, monomethyl ester

5-nitroisophthalamic acid methyl ester

Downstream raw materials:

3-cyano-5-nitro-benzoic acid amide

3-cyano-5-nitrobenzoic acid

methyl 3-amino-5-cyanobenzoate

3-aminomethyl-5-guanidinobenzoic acid

Refernces

• 1、 -. "CYTOKINE INHIBITORS". Page/Page column 29. . Retrieved 2009/05/28.