CAS 118971-61-2

(E)-3-Methylbut-2-en-1-yl 3-(3,4-dihydroxyphenyl)acrylate

Description:

(E)-3-Methylbut-2-en-1-yl 3-(3,4-dihydroxyphenyl)acrylate, with the CAS number 118971-61-2, is an organic compound characterized by its ester functional group and a conjugated double bond system. This compound features a methyl group and a branched alkene, contributing to its structural complexity and potential reactivity. The presence of the 3-(3,4-dihydroxyphenyl) moiety indicates that it has phenolic characteristics, which may impart antioxidant properties and influence its biological activity. The compound's configuration as an (E)-isomer suggests that the substituents around the double bond are on opposite sides, which can affect its physical properties, such as boiling point and solubility. Additionally, the presence of hydroxyl groups in the phenolic part enhances its polarity, potentially increasing its solubility in polar solvents. Overall, this compound may have applications in fields such as pharmaceuticals, materials science, or as a biochemical probe, owing to its unique structural features and potential biological activities.

Formula: C₁₄H₁₆O₄

InChI: InChI=1S/C14H16O4/c1-10(2)7-8-18-14(17)6-4-11-3-5-12(15)13(16)9-11/h3-7,9,15-16H,8H2,1-2H3/b6-4+

InChI key: InChIKey=TTYOHMFLCXENHR-GQCTYLIASA-N

SMILES: C(=C/C(OCC=C(C)C)=O)\C1=CC(O)=C(O)C=C1

Synonyms:

• (E)-3-Methylbut-2-en-1-yl 3-(3,4-dihydroxyphenyl)acrylate
• 1,1-Dimethylallyl caffeate, 1,1-Dimethylallyl caffeic acid ester, 3-Methyl-2-butenyl caffeate
• 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 3-methyl-2-buten-1-yl ester, (2E)-
• 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 3-methyl-2-butenyl ester, (2E)-
• 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 3-methyl-2-butenyl ester, (E)-
• Caffeic acid 1,1-dimethylallyl ester
• Kaffeesure-1,1-Dimethylallylester
• 2-Methyl-2-butenyl (E)-Caffeate

Caffeic Acid 1,1-Dimethylallyl Ester

Controlled Product

CAS: 118971-61-2

Formula: C₁₄H₁₆O₄

Color and Shape: Neat

Molecular weight: 248.274

Ref: TR-C080035