ETHYL 7-METHOXYBENZOFURAN-2-CARBOXYLATE

The 2-Benzofurancarboxylicacid, 7-methoxy-, ethyl ester, with the CAS registry number 50551-58-1, is also known as 7-Methoxybenzo[b]furan-2-carboxylic acid ethyl ester. This chemical's molecular formula is C₁₂H₁₂O₄ and molecular weight is 220.2213. What's more, both its IUPAC name and systematic name are the same which is called Ethyl 7-methoxy-1-benzofuran-2-carboxylate. It is yellow crystals and when you are dealing with this chemical, you should avoid contacting with skin and eyes.

Physical properties about 2-Benzofurancarboxylicacid, 7-methoxy-, ethyl ester are: (1)ACD/LogP: 2.87; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.87; (4)ACD/LogD (pH 7.4): 2.87; (5)ACD/BCF (pH 5.5): 89.28; (6)ACD/BCF (pH 7.4): 89.28; (7)ACD/KOC (pH 5.5): 866.85; (8)ACD/KOC (pH 7.4): 866.85; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 48.67 Å²; (13)Index of Refraction: 1.557; (14)Molar Refractivity: 59.47 cm³; (15)Molar Volume: 184.7 cm³; (16)Polarizability: 23.57×10^-24cm³; (17)Surface Tension: 40.6 dyne/cm; (18)Density: 1.192 g/cm³; (19)Flash Point: 145 °C; (20)Enthalpy of Vaporization: 55.75 kJ/mol; (21)Boiling Point: 316.2 °C at 760 mmHg; (22)Melting Point: 85-90 °C; (23)Vapour Pressure: 0.000418 mmHg at 25 °C.

Preparation of 2-Benzofurancarboxylicacid, 7-methoxy-, ethyl ester: this chemical can be prepared by (2-Formyl-6-methoxy-phenoxy)-acetic acid ethyl ester. This reaction needs reagent P(MeNCH₂CH₂)₃N and solvent Ethanol at temperature of 70 °C. The reaction time is 3 hours. The yield is 98%.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)c2oc1c(OC)cccc1c2
(2) InChI: InChI=1/C12H12O4/c1-3-15-12(13)10-7-8-5-4-6-9(14-2)11(8)16-10/h4-7H,3H2,1-2H3
(3) InChIKey: SXCMZYVXJUJIDJ-UHFFFAOYAB