CAS 6493-77-2

3-Cyclohexene-1-carboxylic acid, methyl ester

Description:

3-Cyclohexene-1-carboxylic acid, methyl ester, is an organic compound characterized by its cyclohexene ring structure, which features a carboxylic acid functional group esterified with a methyl group. This compound typically appears as a colorless to pale yellow liquid and has a distinctive odor. It is soluble in organic solvents such as ethanol and ether but has limited solubility in water due to its hydrophobic cyclohexene ring. The presence of the ester functional group contributes to its reactivity, making it susceptible to hydrolysis under acidic or basic conditions. This compound is often utilized in organic synthesis and may serve as an intermediate in the production of various pharmaceuticals and agrochemicals. Its chemical properties include moderate volatility and a relatively low boiling point, which can influence its handling and storage. Safety data indicates that it should be handled with care, as it may cause irritation upon contact with skin or eyes. Proper safety measures, including the use of personal protective equipment, are recommended when working with this substance.

Formula: C₈H₁₂O₂

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: C(OC)(=O)C1CCC=CC1

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

Methyl 3-Cyclohexene-1-carboxylate

CAS: 6493-77-2

Formula: C₈H₁₂O₂

Purity: >98.0%(GC)

Color and Shape: Colorless to Light yellow clear liquid

Molecular weight: 140.18

Ref: 3B-C0967

Methyl cyclohex-3-enecarboxylate

CAS: 6493-77-2

Formula: C₈H₁₂O₂

Purity: 97%

Color and Shape: Liquid

Molecular weight: 140.1797

Ref: IN-DA0033OS

Methyl cyclohex-3-ene-1-carboxylate

CAS: 6493-77-2

Methyl cyclohex-3-ene-1-carboxylate

Formula: C₈H₁₂O₂

Purity: 97%

Color and Shape: clear. almost colourless liquid

Molecular weight: 140.18g/mol

Ref: 54-OR0842

Methyl cyclohex-3-enecarboxylate

CAS: 6493-77-2

Formula: C₈H₁₂O₂

Purity: 97%

Color and Shape: Liquid

Molecular weight: 140.182

Ref: 10-F241824

Methyl 3-cyclohexene carboxylate

CAS: 6493-77-2

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.

Formula: C₈H₁₂O₂

Purity: Min. 95%

Molecular weight: 140.18 g/mol

Ref: 3D-FM35955