4-AMINO-5-CHLORO-2-METHOXYBENZOIC ACID

The Benzoic acid,4-amino-5-chloro-2-methoxy-, with the CAS registry number 7206-70-4 and EINECS registry number 230-582-3, has the systematic name of 4-amino-5-chloro-2-methoxybenzoic acid. And the molecular formula of this chemical is C₈H₈ClNO₃. It is a kind of white to slightly beige powder, and belongs to the following product categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Organic acids; Pharmaceutical Intermediates.

The physical properties of Benzoic acid,4-amino-5-chloro-2-methoxy- are as following: (1)ACD/LogP: 1.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.75; (4)ACD/LogD (pH 7.4): -0.88; (5)ACD/BCF (pH 5.5): 1.17; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 18.52; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 38.77 Ų; (13)Index of Refraction: 1.616; (14)Molar Refractivity: 48.99 cm³; (15)Molar Volume: 140.1 cm³; (16)Polarizability: 19.42×10^-24cm³; (17)Surface Tension: 58.5 dyne/cm; (18)Density: 1.438 g/cm³; (19)Flash Point: 177.4 °C; (20)Enthalpy of Vaporization: 65.04 kJ/mol; (21)Boiling Point: 369.7 °C at 760 mmHg; (22)Vapour Pressure: 4.06E-06 mmHg at 25°C.

Preparation of Benzoic acid,4-amino-5-chloro-2-methoxy-: This chemical can be prepared by Methyl-2-methoxy-4-amino-5-chlorbenzoat. The reaction will need reagents aq. KOH. And the yield is 86%.

Uses of Benzoic acid,4-amino-5-chloro-2-methoxy-: It can react with (+/-)-2-hydroxymethyl-4-benzylmorpholine to produce (4-benzyl-2-morpholinyl)methyl 4-amino-5-chloro-2-methoxybenzoate. This reaction will need reagents 4-(dimethylamino)pyridine and 1-ethyl-3-<3-(dimethylamino)propyl>carbodiimide hydrochloride, and solvent dimethylformamide. And the yield is about 57%.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(c(OC)cc1N)C(=O)O
(2)InChI: InChI=1/C8H8ClNO3/c1-13-7-3-6(10)5(9)2-4(7)8(11)12/h2-3H,10H2,1H3,(H,11,12)
(3)InChIKey: RVEATKYEARPWRE-UHFFFAOYAZ