ETHYL 3,4-DIMETHOXYPHENYLACETATE

The CAS register number of Benzeneacetic acid,3,4-dimethoxy-, ethyl ester is 18066-68-7. It also can be called as 3,4-Dimethoxyphenylacetic acid ethyl ester and the systematic name about this chemical is ethyl (3,4-dimethoxyphenyl)acetate. The molecular formula about this chemical is C₁₂H₁₆O₄ and the molecular weight is 224.25. It belongs to the following product categories which include Catechol Derivatives; Aromatic Esters and so on.

Physical properties about Benzeneacetic acid,3,4-dimethoxy-, ethyl ester are: (1)ACD/LogP: 2.23; (2)ACD/LogD (pH 5.5): 2.23; (3)ACD/LogD (pH 7.4): 2.23; (4)ACD/BCF (pH 5.5): 29.38; (5)ACD/BCF (pH 7.4): 29.38; (6)ACD/KOC (pH 5.5): 391.29; (7)ACD/KOC (pH 7.4): 391.29; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 44.76 Å²; (11)Index of Refraction: 1.494; (12)Molar Refractivity: 60.19 cm³; (13)Molar Volume: 206.7 cm³; (14)Polarizability: 23.86x10^-24cm³; (15)Surface Tension: 34.6 dyne/cm; (16)Density: 1.084 g/cm³; (17)Flash Point: 129.3 °C; (18)Enthalpy of Vaporization: 54.22 kJ/mol; (19)Boiling Point: 302 °C at 760 mmHg; (20)Vapour Pressure: 0.00102 mmHg at 25 °C.

Preparation: this chemical can be prepared by (3,4-dimethoxy-phenyl)-acetic acid and ethanol. This reaction will need heating and reagent Fe(3+)-K-10 montmorillonite clay. The reaction time is 7.5 hour(s). The yield is about 92%.

Uses of Benzeneacetic acid,3,4-dimethoxy-, ethyl ester: it can be used to produce (3,4-dimethoxy-phenyl)-malonic acid diethyl ester with carbonic acid diethyl ester. This reaction will need reagent NaOEt and solvent toluene. This reaction needs heating. The yield is about 86%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)Cc1cc(OC)c(OC)cc1
(2)InChI: InChI=1/C12H16O4/c1-4-16-12(13)8-9-5-6-10(14-2)11(7-9)15-3/h5-7H,4,8H2,1-3H3
(3)InChIKey: WZKCZNJTDZCNMH-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C12H16O4/c1-4-16-12(13)8-9-5-6-10(14-2)11(7-9)15-3/h5-7H,4,8H2,1-3H3
(5)Std. InChIKey: WZKCZNJTDZCNMH-UHFFFAOYSA-N