Methyl 3-methyl-2-benzofurancarboxylate

The CAS register number of Methyl 3-methyl-2-benzofurancarboxylate is 2076-36-0. It also can be called as 3-Methylbenzofuran-2-carboxylic acid methyl ester and the IUPAC name about this chemical is methyl 3-methyl-1-benzofuran-2-carboxylate. The molecular formula about this chemical is C₁₁H₁₀O₃ and molecular weight is 190.19.

Physical properties about Methyl 3-methyl-2-benzofurancarboxylate are: (1)ACD/LogP: 2.98; (2)ACD/LogD (pH 5.5): 2.98; (3)ACD/LogD (pH 7.4): 2.98; (4)ACD/BCF (pH 5.5): 108.86; (5)ACD/BCF (pH 7.4): 108.86; (6)ACD/KOC (pH 5.5): 999.11; (7)ACD/KOC (pH 7.4): 999.11; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 39.44Ų; (11)Index of Refraction: 1.574; (12)Molar Refractivity: 52.99 cm³; (13)Molar Volume: 160.5 cm³; (14)Polarizability: 21x10^-24cm³; (15)Surface Tension: 41.5 dyne/cm; (16)Enthalpy of Vaporization: 51.3 kJ/mol; (17)Boiling Point: 274.6 °C at 760 mmHg; (18)Vapour Pressure: 0.00535 mmHg at 25°C.

Preparation: this chemical can be prepared by diazomethane and 3-methyl-benzofuran-2-carboxylic acid. This reaction will need reagent diethyl ether.

Uses of Methyl 3-methyl-2-benzofurancarboxylate: it can be used to produce (3-methyl-benzofuran-2-yl)-methanol at temperature of 0 ℃. This reaction will need reagent DIBAL-H and solvent tetrahydrofuran, hexane with reaction time of 1 hours.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c2oc1ccccc1c2C
(2)InChI: InChI=1/C11H10O3/c1-7-8-5-3-4-6-9(8)14-10(7)11(12)13-2/h3-6H,1-2H3
(3)InChIKey: HVUOTQOUAMXGLR-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C11H10O3/c1-7-8-5-3-4-6-9(8)14-10(7)11(12)13-2/h3-6H,1-2H3
(5)Std. InChIKey: HVUOTQOUAMXGLR-UHFFFAOYSA-N