2-[(2-methoxyphenyl)methyl]butanedioic acid

The Butanedioic acid,2-[(2-methoxyphenyl)methyl]-, with the CAS registry number 32298-34-3, is also known as 2-(2-Methoxybenzyl)succinic acid and 2-(2-Methoxy-benzyl)-succinic acid. This chemical's molecular formula is C₁₂H₁₄O₅ and molecular weight is 238.2366. What's more, both its IUPAC name and systematic name are the same which is called 2-[(2-Methoxyphenyl)methyl]butanedioic acid.

Physical properties about Butanedioic acid,2-[(2-methoxyphenyl)methyl]- are: (1)ACD/LogP: 1.52; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.44; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 61.83 Å²; (11)Index of Refraction: 1.554; (12)Molar Refractivity: 59.46 cm³; (13)Molar Volume: 185.4 cm³; (14)Polarizability: 23.57×10^-24 cm³; (15)Surface Tension: 53.2 dyne/cm; (16)Density: 1.284 g/cm³; (17)Flash Point: 135.3 °C; (18)Enthalpy of Vaporization: 63.99 kJ/mol; (19)Boiling Point: 360.7 °C at 760 mmHg; (20)Vapour Pressure: 7.83E-06 mmHg at 25 °C.

Preparation of Butanedioic acid,2-[(2-methoxyphenyl)methyl]-: this chemical can be prepared by 2-(2-Methoxy-benzyl)-succinic acid diethyl ester. This reaction needs reagent H₂ and solvent 10 percent Pd/C. The yield is 87.6 %.

Use of Butanedioic acid,2-[(2-methoxyphenyl)methyl]-: it is used to produce other chemicals. For example, it is used to produce (2-Methoxy-benzyl)-succinic acid anhydride. The reaction occurs with reagent Acetic anhydride and other condition of heating for 2 hours. The yield is 88 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CC(C(=O)O)Cc1ccccc1OC
(2) InChI: InChI=1/C12H14O5/c1-17-10-5-3-2-4-8(10)6-9(12(15)16)7-11(13)14/h2-5,9H,6-7H2,1H3,(H,13,14)(H,15,16)
(3) InChIKey: FNFQVGGMLXFROD-UHFFFAOYAY