3-CYANOPROPIONIC ACID METHYL ESTER

Base Information

• Chemical Name: 3-CYANOPROPIONIC ACID METHYL ESTER
• CAS No.: 4107-62-4
• Molecular Formula: C5H7NO2
• Molecular Weight: 113.116
• Hs Code.: 2926909090
• Mol file: 4107-62-4.mol

Synonyms:Propionicacid, 3-cyano-, methyl ester (6CI,7CI,8CI);3-Carbomethoxypropionitrile;3-Cyanopropionic acid methyl ester;Methyl 3-cyanopropanoate;Methyl3-cyanopropionate;Methyl b-cyanopropionate;NSC 71943;

Chemical Property of 3-CYANOPROPIONIC ACID METHYL ESTER

Chemical Property:

• Vapor Pressure: 0.2mmHg at 25°C
• Refractive Index: 1.422
• Boiling Point: 209.7 °C at 760 mmHg
• Flash Point: 87.5 °C
• PSA: 50.09000
• Density: 1.047 g/cm³
• LogP: 0.46318
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Chloroform

Purity/Quality:

98%,99%, ^*data from raw suppliers

Methyl3-Cyanoropionate ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36-53

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Methyl 3-Cyanoropionate is used in the preparation of anticancer agents. Also used in the design of the ‘dipeptoid’ analogs of cholecystokinin.

Technology Process of 3-CYANOPROPIONIC ACID METHYL ESTER

There total 20 articles about 3-CYANOPROPIONIC 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: 98.2%

→ 3-cyano-propionic acid methyl ester (4107-62-4)

Guidance literature:

With lithium hydroxide monohydrate; In tetrahydrofuran; at 50 ℃; for 1h;

In tetrahydrofuran;

Reference yield: 88.0%

L-glutamic acid 5-methyl ester (1499-55-4) → 3-cyano-propionic acid methyl ester (4107-62-4)

Guidance literature:

With sodium bromide; In methanol; water; at 0 ℃; Electrochemical reaction;

DOI:10.1002/cssc.201100776

Reference yield: 75.0%

methanol (67-56-1) + 2,2-dichlorocyclopropanecarbonitrile (3712-82-1) → 3-cyano-propionic acid methyl ester (4107-62-4) + 1,1-dimethoxy-2-cyanocyclopropane (56579-60-3)

Guidance literature:

With sodium hydroxide; tetrabutylammomium bromide; In water; benzene; at 25 - 30 ℃; Title compound not separated from byproducts.;

DOI:10.1039/b205995a

upstream raw materials:

4,4,4-trimethoxybutyronitrile

3-cyano-propionimidic acid methyl ester; hydrochloride

hydrogen cyanide

acrylic acid methyl ester

Downstream raw materials:

methyl 4,4,4-trimethoxy butanoate

N¹,N⁴-dicyclohexylsuccinamide

succinic acid dibutylamide

3-Cyano-4,4-diphenyl-but-3-enoic acid

Refernces

• 1、 Slutskyy, Yuriy,Overman, Larry E.. "Generation of the Methoxycarbonyl Radical by Visible-Light Photoredox Catalysis and Its Conjugate Addition with Electron-Deficient Olefins". supporting information. p. 2564 - 2567. Retrieved 2016/07/06.
• 2、 Dai, Jian-Jun,Huang, Yao-Bing,Fang, Chi,Guo, Qing-Xiang,Fu, Yao. "Electrochemical synthesis of adiponitrile from the renewable raw material glutamic acid". experimental part. p. 617 - 620. Retrieved 2012/06/29.