PHENYL ANTHRANILATE

The Benzoic acid, 2-amino-,phenyl ester, with the CAS registry number 10268-69-6, is also known as Phenyl Anthranilate. Its EINECS registry number is 233-608-1. This chemical's molecular formula is C₁₃H₁₁NO₂ and molecular weight is 213.23. What's more, both its IUPAC name and systematic name are the same which is called Phenyl 2-aminobenzoate.

Physical properties about this chemical are: (1)ACD/LogP: 3.35; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.35; (4)ACD/LogD (pH 7.4): 3.35; (5)ACD/BCF (pH 5.5): 206.22; (6)ACD/BCF (pH 7.4): 206.28; (7)ACD/KOC (pH 5.5): 1578.24; (8)ACD/KOC (pH 7.4): 1578.68; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.627; (14)Molar Refractivity: 62.13 cm³; (15)Molar Volume: 175.1 cm³; (16)Polarizability: 24.63×10^-24 cm³; (17)Surface Tension: 52 dyne/cm; (18)Density: 1.217 g/cm³; (19)Flash Point: 220.3 °C; (20)Enthalpy of Vaporization: 63.11 kJ/mol; (21)Boiling Point: 382.7 °C at 760 mmHg; (22)Vapour Pressure: 4.64E-06 mmHg at 25 °C; (23)Melting Point: 70 °C.

Preparation of Benzoic acid, 2-amino-,phenyl ester: this chemical can be prepared by 1H-Benzo[d][1,3]oxazine-2,4-dione and Phenol.

This reaction needs reagent NaOH and solvent Dioxane at temperature of 90 °C. The reaction time is 3 hours. The yield is 98 %.

Uses of Benzoic acid, 2-amino-,phenyl ester: it is used to produce other chemicals. For example, it is used to produce 2-(2-Chloro-acetylamino)-benzoic acid phenyl ester.

The reaction needs reagent aq. NaHCO₃ and solvent CHCl₃. The reaction time is 20 min. The yield is 64 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Oc1ccccc1)c2ccccc2N
(2) InChI: InChI=1/C13H11NO2/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h1-9H,14H2
(3) InChIKey: ZBFSYQBEXZGTAX-UHFFFAOYAZ