Methyl 4-methylsalicylate

The Methyl 4-methylsalicylate is an organic compound with the formula C₉H₁₀O₃. The IUPAC name of this product is methyl 2-hydroxy-4-methylbenzoate. With the CAS registry number 4670-56-8, it is also named as Benzoic acid, 2-hydroxy-4-methyl-, methyl ester; Methyl m-Cresotinate. The product's categories are aromatic esters. 

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.69; (4)ACD/LogD (pH 7.4): 2.69; (5)ACD/BCF (pH 5.5): 65.72; (6)ACD/BCF (pH 7.4): 65.5; (7)ACD/KOC (pH 5.5): 696.2; (8)ACD/KOC (pH 7.4): 693.86; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)Index of Refraction: 1.542; (12)Molar Refractivity: 44.73 cm³; (13)Molar Volume: 142 cm³; (14)Polarizability: 17.73×10^-24 cm³; (15)Surface Tension: 43.5 dyne/cm; (16)Enthalpy of Vaporization: 49.75 kJ/mol; (17)Vapour Pressure: 0.0235 mmHg at 25°C; (18)Rotatable Bond Count: 2; (19)Tautomer Count: 12; (20)Exact Mass: 166.062994; (21)MonoIsotopic Mass: 166.062994; (22)Topological Polar Surface Area: 46.5; (23)Heavy Atom Count: 12.

Preparation of Methyl 4-methylsalicylate: It can be obtained by methanol and and2-hydroxy-4-methyl-benzoic acid. This reaction needs reagent H₂SO₄ at the temperature of 70 °C.

Uses of Methyl 4-methylsalicylate: It reacts with N-(3-bromo-propyl)-phthalimide to get 2-[3-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-propoxy]-4-methyl-benzoic acid methyl ester. This reaction needs reagent potassium carbonate and solvent acetone by heating. The reaction time is 24 hours. The yield is 87%.

People can use the following data to convert to the molecule structure. 
1. SMILES: O=C(OC)c1ccc(cc1O)C;
2. InChI: InChI=1/C9H10O3/c1-6-3-4-7(8(10)5-6)9(11)12-2/h3-5,10H,1-2H3.