Ethyl 2-methoxy-5-sulfamoylbenzoate

The Benzoic acid,5-(aminosulfonyl)-2-methoxy-, ethyl ester, with the CAS registry number 33045-53-3, is also known as Ethyl 2-methoxy-5-sulfamoylbenzoate. It belongs to the product category of Fine Chemical & Intermediates. Its EINECS registry number is 251-359-7. This chemical's molecular formula is C₁₀H₁₃NO₅S and molecular weight is 259.28. Its systematic name is called ethyl 2-methoxy-5-sulfamoylbenzoate.

Physical properties of Benzoic acid,5-(aminosulfonyl)-2-methoxy-, ethyl ester: (1)ACD/LogP: 1.31; (2)ACD/LogD (pH 5.5): 1.31; (3)ACD/LogD (pH 7.4): 1.31; (4)ACD/BCF (pH 5.5): 5.82; (5)ACD/BCF (pH 7.4): 5.8; (6)ACD/KOC (pH 5.5): 122.77; (7)ACD/KOC (pH 7.4): 122.43; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.535; (12)Molar Refractivity: 61.29 cm³; (13)Molar Volume: 196.7 cm³; (14)Surface Tension: 47.1 dyne/cm; (15)Density: 1.317 g/cm³; (16)Flash Point: 223.8 °C; (17)Enthalpy of Vaporization: 70.47 kJ/mol; (18)Boiling Point: 446.5 °C at 760 mmHg; (19)Vapour Pressure: 3.63E-08 mmHg at 25°C.

Preparation of Benzoic acid,5-(aminosulfonyl)-2-methoxy-, ethyl ester: this chemical can be prepared by methyl 5-sulfamoyl-o-anisate and ethanol. This reaction will need reagent H₂SO₄. The reaction time is 12 hours. The yield is about 98%.

Uses of Benzoic acid,5-(aminosulfonyl)-2-methoxy-, ethyl ester: it can be used to produce 2-methoxy-N-(3-piperidin-1-yl-propyl)-5-sulfamoyl-benzamide at temperature of 100 °C. The yield is about 60%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(OC)c(C(=O)OCC)c1)N
(2)InChI: InChI=1/C10H13NO5S/c1-3-16-10(12)8-6-7(17(11,13)14)4-5-9(8)15-2/h4-6H,3H2,1-2H3,(H2,11,13,14)
(3)InChIKey: ZQSFLXDMGBSJKV-UHFFFAOYAX