4-Acetylamino-5-Chloro-2-Hydroxybenzoic Acid Methyl Ester

The Benzoicacid, 4-(acetylamino)-5-chloro-2-hydroxy-, methyl ester is an organic compound with the formula C₁₀H₁₀ClNO₄. The systematic name of this chemical is methyl 4-(acetylamino)-5-chloro-2-hydroxybenzoate. With the CAS registry number 24190-77-0, it is also named as 4-Acetylamino-5-chloro-2-hydroxybenzoicacidmethylester.

Physical properties about Benzoicacid, 4-(acetylamino)-5-chloro-2-hydroxy-, methyl ester are: (1)ACD/LogP: 2.82; (2)ACD/LogD (pH 5.5): 2.82; (3)ACD/LogD (pH 7.4): 2.81; (4)ACD/BCF (pH 5.5): 81.66; (5)ACD/BCF (pH 7.4): 79.85; (6)ACD/KOC (pH 5.5): 813.22; (7)ACD/KOC (pH 7.4): 795.12; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 75.63 Å²; (12)Index of Refraction: 1.608; (13)Molar Refractivity: 59.07 cm³; (14)Molar Volume: 170.7 cm³; (15)Polarizability: 23.41×10^-24cm³; (16)Surface Tension: 55.7 dyne/cm; (17)Density: 1.426 g/cm³; (18)Flash Point: 212.7 °C; (19)Enthalpy of Vaporization: 70.97 kJ/mol; (20)Boiling Point: 428.2 °C at 760 mmHg; (21)Vapour Pressure: 6.21E-08 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-acetylamino-2-hydroxy-benzoic acid methyl ester. This reaction will need reagent SO₂Cl₂ and solvent CHCl₃. The reaction time is 3 hours with reaction temperature of 25 °C. The yield is about 80%.

Uses of Benzoicacid, 4-(acetylamino)-5-chloro-2-hydroxy-, methyl ester: it can be used to produce 4-acetylamino-5-chloro-2-hydroxy-3-iodo-benzoic acid methyl ester at temperature of 10 °C. It will need reagent NaI, chloramine-T and solvent dimethylformamide with reaction time of 1 hour. The yield is about 77%.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(c(O)cc1NC(C)=O)C(=O)OC
(2)InChI: InChI=1/C10H10ClNO4/c1-5(13)12-8-4-9(14)6(3-7(8)11)10(15)16-2/h3-4,14H,1-2H3,(H,12,13)
(3)InChIKey: LNWKABRRGNSRPQ-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C10H10ClNO4/c1-5(13)12-8-4-9(14)6(3-7(8)11)10(15)16-2/h3-4,14H,1-2H3,(H,12,13)
(5)Std. InChIKey: LNWKABRRGNSRPQ-UHFFFAOYSA-N