CAS 102363-72-4: Methyl (2E)-2-cyano-3-methyl-2-pentenoate

Description: Methyl (2E)-2-cyano-3-methyl-2-pentenoate, with the CAS number 102363-72-4, is an organic compound characterized by its structure, which includes a cyano group (-CN) and an ester functional group (-COOCH3). This compound features a pentenoate backbone, indicating the presence of a double bond and a branched methyl group. It is typically a colorless to pale yellow liquid with a distinctive odor. The presence of the cyano group contributes to its reactivity, making it a useful intermediate in organic synthesis, particularly in the production of various pharmaceuticals and agrochemicals. Methyl (2E)-2-cyano-3-methyl-2-pentenoate is soluble in organic solvents, and its properties can vary based on environmental conditions such as temperature and pressure. Safety data sheets should be consulted for handling and storage guidelines, as compounds with cyano groups can pose health risks. Overall, this compound is significant in synthetic organic chemistry due to its versatile reactivity and potential applications.

Formula: C₈H₁₁NO₂

InChI: InChI=1S/C8H11NO2/c1-4-6(2)7(5-9)8(10)11-3/h4H2,1-3H3/b7-6+

InChI key: InChIKey=YFTKFYMUKUWANJ-VOTSOKGWSA-N

SMILES: N#CC(C(=O)OC)=C(C)CC

Synonyms:

• 2-Pentenoic acid, 2-cyano-3-methyl-, methyl ester, (E)-
• 2-pentenoic acid, 2-cyano-3-methyl-, methyl ester, (2E)-
• Methyl (2E)-2-cyano-3-methyl-2-pentenoate
• Methyl (2E)-2-cyano-3-methylpent-2-enoate

Methyl (E)-2-cyano-3-methyl-pent-2-enoate

CAS: 102363-72-4

• Formula: C₈H₁₁NO₂
• Molecular weight: 153.18