Methyl 4-amino-3-hydroxybenzoate

The CAS registry number of Benzoic acid,4-amino-3-hydroxy-, methyl ester is 63435-16-5. The IUPAC name is methyl 4-amino-3-hydroxybenzoate. In addition, the molecular formula is C₈H₉NO₃ and the molecular weight is 167.16. What's more, it belongs to the classes of Aromatic Esters; Benzoic acid.

Physical properties about this chemical are: (1)ACD/LogP: 1.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.35; (4)ACD/LogD (pH 7.4): 1.34; (5)ACD/BCF (pH 5.5): 6.23; (6)ACD/BCF (pH 7.4): 6.08; (7)ACD/KOC (pH 5.5): 128.88; (8)ACD/KOC (pH 7.4): 125.67; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 38.77 Å²; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 44.14 cm³; (15)Molar Volume: 128 cm³; (16)Polarizability: 17.49 ×10^-24cm3; (17)Surface Tension: 57.7 dyne/cm; (18)Density: 1.305 g/cm³; (19)Flash Point: 174.2 °C; (20)Enthalpy of Vaporization: 63.47 kJ/mol; (21)Boiling Point: 364.5 °C at 760 mmHg; (22)Vapour Pressure: 7.99E-06 mmHg at 25°C.

Preparation of Benzoic acid,4-amino-3-hydroxy-, methyl ester: it can be prepared by 3-hydroxy-4-nitro-benzoic acid methyl ester. This reaction will need reagent H₂, catalyst Pd/C and solvent ethanol. The reaction time is 6 hours. The yield is about 98%.

Uses of Benzoic acid,4-amino-3-hydroxy-, methyl ester: it can react with 4-bromo-heptane to get 4-amino-3-(1-propyl-butoxy)-benzoic acid methyl ester. This reaction will need reagent NaH and solvent dimethylformamide. The reaction time is 12 hours. The yield is about 69%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1cc(O)c(N)cc1
(2)InChI: InChI=1/C8H9NO3/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4,10H,9H2,1H3
(3)InChIKey: OCZXDVNSNDITBS-UHFFFAOYAY