Benzoic acid,3,4-dimethoxy-, methyl ester (2150-38-1)

The Methyl 3,4-dimethoxybenzoate, with the cas registry number 2150-38-1, is a kind of brown granular powder. And its product categories are including Aromatic Esters; Organic acids. As to its usage, it is usually used in organic synthesis. While using this chemical, avoid contacting with skin and eyes. In addition, you should keep it in a dry, cool and well-ventilated place, with the container closed.

The characteristics of this chemical are as follows: (1)ACD/LogP: 2.06; (2)ACD/LogD (pH 5.5): 2.06; (3)ACD/LogD (pH 7.4): 2.06 ; (4)#H bond acceptors: 4; (5)#H bond donors: 0; (6)#Freely Rotating Bonds: 4; (7)Polar Surface Area: 44.76; (8)Index of Refraction: 1.497; (9)Molar Refractivity: 51.38 cm³; (10)Molar Volume: 175.3 cm³; (11)Polarizability: 20.36 ×10^-24 cm³; (12)Surface Tension: 34.6 dyne/cm; (13)Density: 1.119 g/cm³; (14)Flash Point: 122.2 °C; (15)Enthalpy of Vaporization: 52.3 kJ/mol; (16)Boiling Point: 284.1 °C at 760 mmHg; (17)Vapour Pressure: 0.00304 mmHg at 25°C; (18)Exact Mass: 196.073559; (19)MonoIsotopic Mass: 196.073559; (20)Topological Polar Surface Area: 44.8; (21)Heavy Atom Count: 14; (22)Formal Charge: 0; (23)Complexity: 193.

Production method of Methyl 3,4-dimethoxybenzoate is as below: 3,4-dimethoxy-benzoic acid  could react with methanol to produce 3,4-dimethoxy-benzoic acid methyl ester, with the following condition: reagent: hydrogen chloride.

Use of Methyl 3,4-dimethoxybenzoate: Methyl 3,4-dimethoxybenzoate could react to produce 4,5-dimethoxy-2-nitro-benzoic acid methyl ester, with the following condition: reagent: nitric acid.

In addition, you could obtain the molecular structure by converting the following datas:
(1)Canonical SMILES: COC1=C(C=C(C=C1)C(=O)OC)OC
(2)InChI: InChI=1S/C10H12O4/c1-12-8-5-4-7(10(11)14-3)6-9(8)13-2/h4-6H,1-3H3 
(3)InChIKey: BIGQPYZPEWAPBG-UHFFFAOYSA-N