Methyl 3-cyclohexene carboxylate

CAS: 6493-77-2

Ref. 3D-FM35955

Product Information

• Name: Methyl 3-cyclohexene carboxylate
• Synonyms: 1-(Methoxycarbonyl)cyclohex-3-ene, 1-Carbomethoxy-3-cyclohexene, 3-Cyclohexene-1-Carboxylic Acid Methyl Ester, 4-(Methoxycarbonyl)cyclohexene, Methyl 1,2,3,6-tetrahydrobenzoate, Methyl 3-cyclohexene-1-carboxylate, Methyl 4-cyclohexenecarboxylate, NSC 93912, Methyl 3-cyclohexenecarboxylate

Description

Methyl 3-cyclohexene carboxylate is a chiral, symmetric molecule that is synthesized through the addition of an organometallic reagent to a cyclohexene. Methyl 3-cyclohexene carboxylate has been shown to be a substrate for the inhibition of edoxaban, a factor Xa inhibitor, and may be used in drug optimization. It also undergoes elimination reactions, which are catalyzed by metal ions. In particular, methyl 3-cyclohexene carboxylate can be converted into an acid lactone or methyl ester by irradiation or acid treatment. This compound is attacked by various strains of bacteria such as Pseudomonas aeruginosa and Escherichia coli.

• Brand: Biosynth

Chemical properties

• Molecular weight: 140.18 g/mol
• Formula: C₈H₁₂O₂
• Purity: Min. 95%
• InChI: InChI=1S/C8H12O2/c1-10-8(9)7-5-3-2-4-6-7/h2-3,7H,4-6H2,1H3
• InChI key: InChIKey=IPUNVLFESXFVFH-UHFFFAOYSA-N
• SMILES: COC(=O)C1CC=CCC1