CAS 1315330-19-8

Methyl (2E)-5-[3-[2-(3,3-dimethyl-2-oxiranyl)ethyl]-3-methyl-2-oxiranyl]-3-methyl-2-pentenoate

Description:

Methyl (2E)-5-[3-[2-(3,3-dimethyl-2-oxiranyl)ethyl]-3-methyl-2-oxiranyl]-3-methyl-2-pentenoate is a complex organic compound characterized by its unique structure, which includes multiple functional groups such as esters and epoxides. The presence of the methyl ester group suggests it may exhibit properties typical of esters, including volatility and solubility in organic solvents. The compound features a pentenoate backbone, indicating it has unsaturation, which can influence its reactivity and potential applications in organic synthesis. The epoxide groups contribute to its reactivity, making it a potential candidate for further chemical transformations. Additionally, the presence of multiple methyl groups may enhance its hydrophobic characteristics. This compound may be of interest in fields such as medicinal chemistry, materials science, or as an intermediate in organic synthesis due to its structural complexity and potential reactivity. However, specific physical properties such as boiling point, melting point, and solubility would require experimental determination or detailed literature references for precise characterization.

Formula: C₁₆H₂₆O₄

InChI: InChI=1/C16H26O4/c1-11(10-14(17)18-5)6-7-13-16(4,20-13)9-8-12-15(2,3)19-12/h10,12-13H,6-9H2,1-5H3/b11-10+

InChI key: InChIKey=ZKZPJBPCLACUKB-ZHACJKMWNA-N

SMILES: C(CC1C(C)(C)O1)C2(C)C(CC/C(=C/C(OC)=O)/C)O2

Synonyms:

• Methyl (2E)-5-[3-[2-(3,3-dimethyl-2-oxiranyl)ethyl]-3-methyl-2-oxiranyl]-3-methyl-2-pentenoate
• 2-Pentenoic acid, 5-[3-[2-(3,3-dimethyl-2-oxiranyl)ethyl]-3-methyl-2-oxiranyl]-3-methyl-, methyl ester, (2E)-

(2E)​-5-​[3-​[2-​(3,​3-​Dimethyl-​2-​oxiranyl)​ethyl]​-​3-​methyl-​2-​oxiranyl]​-​3-​methyl-​2-​pentenoic-d3 Acid

Controlled Product

CAS: 1315330-19-8

Applications (2E)​-5-​[3-​[2-​(3,​3-​Dimethyl-​2-​oxiranyl)​ethyl]​-​3-​methyl-​2-​oxiranyl]​-​3-​methyl-​2-​pentenoic-d3 Acid is a by-product during the synthesis of trans-trans-10,11-Epoxy Farnesenic Acid-d3 Methyl Ester (E589402), a labelled trans-trans-10,11-Epoxy Farnesenic Acid Methyl Ester (E589400). trans-trans-10,11-Epoxy Farnesenic Acid Methyl Ester is a metabolite (2E,6E)-Farnesenic Acid.
References Koeppe, J., et al.: J. Biol. Chem., 259, 3219 (1984); King, L., et al.: Insect. Biochem., 18, 793 (1988); Park, Y., et al.: Biochemistry, 32, 7909 (1993)

Formula: C₁₆D₃H₂₃O₄

Color and Shape: Clear

Molecular weight: 285.394

Ref: TR-D472437