(2E)-3-(4-Isopropylphenyl)acrylic acid

CAS: 3368-21-6

Ref. 3D-FI121513

Product Information

• Name: (2E)-3-(4-Isopropylphenyl)acrylic acid
• Synonyms: 2-propenoic acid, 3-[4-(1-methylethyl)phenyl]-, (2E)-, (2E)-3-[4-(1-methylethyl)phenyl]prop-2-enoate, 2-Propenoic acid, 3-(4-(1-methylethyl)phenyl)-, 3-(4-Isopropylphenyl)-2-propenoic acid, 3-(4-Isopropylphenyl)acrylic acid, 3-[4-(1-Methylethyl)phenyl]-2-propenoic acid, Ai3-23710, Cinnamic acid, p-isopropyl-, Nsc 216, p-Isopropylcinnamic acid

Description

(2E)-3-(4-Isopropylphenyl)acrylic acid (2E-IPA) is a substrate of cytochrome P450 and is metabolized to 3,5-dimethoxycinnamic acid. It is also an oxidant, which can be used for the oxidation of other substrates. The formation rate of 2E-IPA varies depending on the presence of an isopropyl group, which interacts with the heme group in the active site. This interaction affects the reactivity of 2E-IPA in catalyzing reactions with electron donors and electron acceptors. The demethylation reaction of 2E-IPA leads to 4-methoxycinnamic acid, which has been shown to have anticancer properties. Demethylation also occurs in cinnamic acids and dimethoxy phenylpropanoids, which are precursors to cinnamic acids.

• Brand: Biosynth

Chemical properties

• Molecular weight: 190.24 g/mol
• Formula: C₁₂H₁₄O₂
• Purity: Min. 95%
• InChI: InChI=1S/C12H14O2/c1-9(2)11-6-3-10(4-7-11)5-8-12(13)14/h3-9H,1-2H3,(H,13,14)/b8-5+
• InChI key: InChIKey=SJDOOXOUSJDYFE-VMPITWQZSA-N
• SMILES: CC(C)c1ccc(/C=C/C(=O)O)cc1