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Methyl 3-methyl-2-benzofurancarboxylate

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Name

Methyl 3-methyl-2-benzofurancarboxylate

EINECS 218-198-4
CAS No. 2076-36-0 Density 1.184 g/cm3
PSA 39.44000 LogP 2.52780
Solubility N/A Melting Point N/A
Formula C11H10O3 Boiling Point 274.6 °C at 760 mmHg
Molecular Weight 190.199 Flash Point 119.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 2076-36-0 (Methyl 3-methyl-2-benzofurancarboxylate) Hazard Symbols N/A
Synonyms

3-Methylbenzofuran-2-carboxylicacid methyl ester;Methyl 3-methyl-2-benzofurancarboxylate;

Article Data 15

Methyl 3-methyl-2-benzofurancarboxylate Specification

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: 39.44Å2; (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

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