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CAS No.: | 1486-53-9 |
---|---|
Name: | 4-Benzyloxy-3-methoxybenzoic acid |
Article Data: | 49 |
Molecular Structure: | |
Formula: | C15H14O4 |
Molecular Weight: | 258.274 |
Synonyms: | Benzoicacid, 4-(benzyloxy)-3-methoxy- (6CI,7CI);4-Benzyloxy-3-methoxybenzoic acid;NSC 16714;O-Benzylvanillic acid; |
Density: | 1.225 g/cm3 |
Melting Point: | 171-172 °C |
Boiling Point: | 416.6 °C at 760 mmHg |
Flash Point: | 156 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36 |
Safety: | 26 |
PSA: | 55.76000 |
LogP: | 2.97240 |
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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