Methyl-6-Butyl-2-hydroxy-4-oxocyclohex-2-ene Carboxylate

CAS: 173324-40-8

Ref. TR-M510550

Información del producto

• Nombre: Methyl-6-Butyl-2-hydroxy-4-oxocyclohex-2-ene Carboxylate

Descripción

Applications Methyl-6-Butyl-2-hydroxy-4-oxocyclohex-2-ene Carboxylate is an intermediate in the synthesis of 5-Butylresorcinol (B850055). 5-Butylresorcinol and other alkyl resorcinol have been studied for their bactericidal properties. It has been also used in the study of hydrophobicity of 1-methyl-3,5-dioxybenzene, 1-butyl-3,5-dioxybenzene, and 1-hexyl-3,5-dioxybenzene studied by DFT-ROB3LYP and PM3 methods calcg. their complexes with H2O mol. and octanol.
References Suter C. M., et al., J. Am. Chem. Soc.: 61, 232-236 (1939); Kobzev G. I., et al., Russ. J. Gen. Chem.: 83, 1318-1323 (2013)

• Marca: TRC

Propiedades químicas

• Peso molecular: 226.27
• Fórmula: C₁₂H₁₈O₄
• Color/Forma: White Solid
• InChI: InChI=1S/C12H18O4/c1-3-4-5-8-6-9(13)7-10(14)11(8)12(15)16-2/h7-8,11,14H,3-6H2,1-2H3
• Clave InChI: InChIKey=QDFLYOLPWMCUEL-UHFFFAOYSA-N
• SMILES: CCCCC1CC(=O)C=C(O)C1C(=O)OC