METHYL 2,4-DIMETHOXYBENZOATE

The Benzoic acid, 2, 4-dimethoxy-, methyl ester, with the CAS registry number 2150-41-6, is also known as 2, 4-Dimethoxybenzoic acid methyl ester. It belongs to the product categories of C10 to C11; Carbonyl Compounds; Esters. This chemical's molecular formula is C₁₀H₁₂O₄ and molecular weight is 196.20. What's more, its IUPAC name is Methyl 2, 4-dimethoxybenzoate.

Physical properties about Benzoic acid, 2, 4-dimethoxy-, methyl ester are: (1)ACD/LogP: 2.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 19.35; (6)ACD/BCF (pH 7.4): 19.35; (7)ACD/KOC (pH 5.5): 290.15; (8)ACD/KOC (pH 7.4): 290.15; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 44.76 Å²; (13)Index of Refraction: 1.497; (14)Molar Refractivity: 51.38 cm³; (15)Molar Volume: 175.3 cm³; (16)Polarizability: 20.36×10^-24 cm³; (17)Surface Tension: 34.6 dyne/cm; (18)Density: 1.119 g/cm³; (19)Flash Point: 132.7 °C; (20)Enthalpy of Vaporization: 54.39 kJ/mol; (21)Boiling Point: 303.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000921 mmHg at 25 °C.

Preparation of Benzoic acid, 2, 4-dimethoxy-, methyl ester: this chemical is prepared by reaction of 2-Hydroxy-4-methoxy-benzoic acid methyl ester with Sulfuric acid dimethyl ester by heating. The reaction needs reagent K₂CO₃ and solvent Acetone. The reaction time is 24 hours. The yield is about 96 %.

Uses of Benzoic acid, 2, 4-dimethoxy-, methyl ester: it is used to produce other chemicals. For example, it is used to produce 5-(2, 4-Dimethoxy-phenyl)-3, 5-dioxo-pentanoic acid ethyl ester. This reaction needs reagents LDA and TMEDA. Meanwhile, it needs solvents Tetrahydrofuran and Hexane. The reaction temperature is -78-20 °C. The yield is about 50 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. During using it, you should wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)c1ccc(OC)cc1OC
(2) InChI: InChI=1/C10H12O4/c1-12-7-4-5-8(10(11)14-3)9(6-7)13-2/h4-6H,1-3H3
(3) InChIKey: IHIJFZWLGPEYPJ-UHFFFAOYAP