CAS 105-34-0 Methyl cyanoacetate - Materials / Alfa Chemistry

NAVIGATION

Methyl cyanoacetate

PRICE INQUIRY

Catalog Number

ACM105340

CAS Number

105-34-0

Product Name

Methyl cyanoacetate

Category

Polymers

Description

Liquid

IUPAC Name

methyl 2-cyanoacetate

Molecular Weight

99.09g/mol

Molecular Formula

C4H5NO2

Canonical SMILES

COC(=O)CC#N

InChI

InChI=1S/C4H5NO2/c1-7-4(6)2-3-5/h2H2,1H3

InChI Key

ANGDWNBGPBMQHW-UHFFFAOYSA-N

Boiling Point

200.5 °C

Melting Point

-22.5 °C

Application

Methyl cyanoacetate serves as a versatile intermediate in both pharmaceutical and agricultural synthesis, particularly for biologically active compounds. It plays a critical role in the preparation of α-cyanoacrylate, malononitrile, and 1,1-cyclohexanediacetic acid dyes. This clear, colorless to slightly yellow liquid is widely applied as a UV absorber and stabilizer, as well as an intermediate for pharmaceuticals. Moreover, it acts as a nucleophile in the electrochemical oxidation of catechols and is integral to synthesizing various 1,2,5-tricarbonyl compounds. In the pharmaceutical domain, methyl cyanoacetate is crucial in producing compounds like Methyl 2-Amino-4-trifluoromethylthiophene-3-carboxylate, utilized in developing DPP-IV inhibitors for type-2 diabetes treatment.

Complexity

110

Covalently-Bonded Unit Count

EC Number

203-288-8

Exact Mass

99.032028g/mol

Formal Charge

Heavy Atom Count

Log P

-0.47 (LogP)

Monoisotopic Mass