5-METHOXY-3-OXOVALERIC ACID METHYL ESTER

This chemical is called Pentanoic acid, 5-methoxy-3-oxo-, methyl ester, and its systematic name is Methyl 5-methoxy-3-oxopentanoate. With the molecular formula of C₇H₁₂O₄, its molecular weight is 160.16. The CAS registry number of this chemical is 62462-05-9. In addition, this chemical should be sealed in the cool and dry place, away from oxides.

Other characteristics of the Pentanoic acid, 5-methoxy-3-oxo-, methyl ester can be summarised as followings: (1)ACD/LogP: 0.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.5; (4)ACD/LogD (pH 7.4): 0.5; (5)ACD/BCF (pH 5.5): 1.41; (6)ACD/BCF (pH 7.4): 1.4; (7)ACD/KOC (pH 5.5): 44.42; (8)ACD/KOC (pH 7.4): 44.37; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.417; (14)Molar Refractivity: 38.02 cm³; (15)Molar Volume: 151 cm³; (16)Polarizability: 15.07×10^-24cm³; (17)Surface Tension: 32.3 dyne/cm; (18)Density: 1.06 g/cm³; (19)Flash Point: 83.4 °C; (20)Enthalpy of Vaporization: 44.76 kJ/mol; (21)Boiling Point: 211.3 °C at 760 mmHg; (22)Vapour Pressure: 0.184 mmHg at 25°C.

Production method of this chemical: The Pentanoic acid, 5-methoxy-3-oxo-, methyl ester could be obtained by the reactant of 2-acetyl-5-methoxy-3-oxo-pentanoic acid ethyl ester. This reaction needs the reagent of KOH, and the solvent of methanol. The yield is 56 %.

Uses of this chemical: The Pentanoic acid, 5-methoxy-3-oxo-, methyl ester could react with 2-methyl-cyclohexane-1,3-dione, and obtain the 4a-methyl-2,5-dioxo-2,3,4,4a,5,6,7,8-octahydro-naphthalene-1-carboxylic acid methyl ester. This reaction needs the reagent of acid, and the solvent of benzene. The yield is 75 %.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC)CC(=O)CCOC
2.InChI: InChI=1/C7H12O4/c1-10-4-3-6(8)5-7(9)11-2/h3-5H2,1-2H3
3.InChIKey: OPURNNHYTATPKM-UHFFFAOYAX