3-METHYLBENZOFURAN-2-CARBOXYLIC ACID ETHYL ESTER

The 2-Benzofurancarboxylicacid, 3-methyl-, ethyl ester, with the CAS registry number of 22367-82-4, is also known as 3-Methylbenzofurane-2-carboxylicacidethylester. This chemical's molecular formula is C₁₂H₁₂O₃ and molecular weight is 204.22. What's more, its IUPAC name is Ethyl 3-methyl-1-benzofuran-2-carboxylate. 

Physical properties about 2-Benzofurancarboxylicacid, 3-methyl-, ethyl ester are: (1)ACD/LogP: 3.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.51; (4)ACD/LogD (pH 7.4): 3.51; (5)ACD/BCF (pH 5.5): 275.87; (6)ACD/BCF (pH 7.4): 275.87; (7)ACD/KOC (pH 5.5): 1943.86; (8)ACD/KOC (pH 7.4): 1943.86; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 39.44 Å²; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 57.62 cm³; (15)Molar Volume: 177 cm³; (16)Polarizability: 22.84×10^-24 cm³; (17)Surface Tension: 40.7 dyne/cm; (18)Density: 1.153 g/cm³; (19)Flash Point: 129.7 °C; (20)Enthalpy of Vaporization: 53.02 kJ/mol; (21)Boiling Point: 290.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00203 mmHg at 25 °C.

Preparation of 2-Benzofurancarboxylicacid, 3-methyl-, ethyl ester: this chemical is prepared by 2-Phenoxy-acetoacetic acid ethyl ester. The reaction needs reagent H₂SO₄. The reaction time is 1 hour with reaction temperature of -10 °C. Additionally, the yield is about 65%.

Uses of 2-Benzofurancarboxylicacid, 3-methyl-, ethyl ester: it is used to produce other chemicals. For example, it is used to produce 3-Ethoxycarbonyl-3-methyl-2-benzofuranone. The reaction needs solvents CH₂Cl₂ and Acetone. Meanwhile, it needs reagent Dimethyldioxirane. The reaction time is 3 hours with reaction temperature of 0 °C. What's more, the yield is about 72%.

You can still convert the following data into molecular structure:
(1) SMILES: O=C(OCC)c2oc1ccccc1c2C
(2) InChI: InChI=1/C12H12O3/c1-3-14-12(13)11-8(2)9-6-4-5-7-10(9)15-11/h4-7H,3H2,1-2H3
(3) InChIKey: FBWZJJPGVQYUIN-UHFFFAOYAX