Methyl 2-(1-Hexyn-1-yl)benzoate

• CAT Number: C001014
• CAS Number: 462637-40-7
• Molecular Formula: C₁₄H₁₆O₂
• Molecular Weight: 216.28
• Purity: ≥95%
• Synonyms: 1-(2-Methoxycarbonylphenyl)-1-hexyne; 2-(1-Hexynyl)-benzoic Acid Methyl Ester
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• Appearance: Pale Yellow to Orange Oil
• Storage: 4°C, Inert atmosphere
• IUPAC Name: methyl 2-hex-1-ynylbenzoate
• InChI: InChI=1S/C14H16O2/c1-3-4-5-6-9-12-10-7-8-11-13(12)14(15)16-2/h7-8,10-11H,3-5H2,1-2H3
• InChIKey: TUCQESPRPRKMKB-UHFFFAOYSA-N
• SMILES: CCCCC#CC1=CC=CC=C1C(=O)OC

Methyl 2-(1-Hexyn-1-yl)benzoate（Cat No.:C001014）, is a synthetic organic compound used in chemical synthesis and research. It is a clear to pale yellow liquid with a specific aromatic odor. The compound contains a benzoate ester group and a hexyne functional group. It serves as an important intermediate in the production of various pharmaceuticals and specialty chemicals. Methyl 2-(1-Hexyn-1-yl)benzoate exhibits unique reactivity due to the presence of the alkyne moiety, making it valuable in organic transformations.

Reference

Chaumontet, C., et al.: Carcinogenesis, 15, 2325 (1994; Sato, F., et al.: Biochem. Biophys. Res. Commun., 204, 578 (1994); Kuo, M.L. et al.: Biochem. Biophys. Res. Commun., 212, 767 (1995)