4-Benzyloxy-3-methoxybenzoic acid

The Benzoic acid,3-methoxy-4-(phenylmethoxy)- is an organic compound with the formula C₁₅H₁₄O₄. The systematic name of this chemical is 4-(Benzyloxy)-3-methoxybenzoic acid. With the CAS registry number 1486-53-9, it is also named as 3-Methoxy-4-benzyloxy benzoic acid. The product's categories are Aromatic Esters; Pharmacetical. Besides, its molecular weight is 258.27.

Physical properties about Benzoic acid,3-methoxy-4-(phenylmethoxy)- are: (1)ACD/LogP: 3.65; (2)ACD/LogD (pH 5.5): 2.47; (3)ACD/LogD (pH 7.4): 0.85; (4)ACD/BCF (pH 5.5): 22.96; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 151.45; (7)ACD/KOC (pH 7.4): 3.64; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 44.76 Å²; (12)Index of Refraction: 1.589; (13)Molar Refractivity: 71.02 cm³; (14)Molar Volume: 210.6 cm³; (15)Polarizability: 28.15×10^-24 cm³; (16)Surface Tension: 48.1 dyne/cm; (17)Density: 1.225 g/cm³; (18)Flash Point: 156 °C; (19)Enthalpy of Vaporization: 70.63 kJ/mol; (20)Boiling Point: 416.6 °C at 760 mmHg; (21)Vapour Pressure: 1.1E-07 mmHg at 25 °C.

Preparation: this chemical can be prepared by 4-Benzyloxy-3-methoxy-benzaldehyde. This reaction will need reagents CrO₃; AcOH. The reaction time is 1 hour. The yield is about 85%.

Uses of Benzoic acid,3-methoxy-4-(phenylmethoxy)-: it can be used to produce 4-Benzyloxy-5-methoxy-2-nitrobenzoic acid at temperature of -25 °C. It will need reagents SnCl₄; HNO₃ and solvent CH₂Cl₂ with reaction time of 5 min. The yield is about 83%.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C15H14O4/c1-18-14-9-12(15(16)17)7-8-13(14)19-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,16,17)
(2)InChIKey: JGMBQAGNZLBZCE-UHFFFAOYAI
(3)Std. InChI: InChI=1S/C15H14O4/c1-18-14-9-12(15(16)17)7-8-13(14)19-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,16,17)
(4)Std. InChIKey: JGMBQAGNZLBZCE-UHFFFAOYSA-N