Methyl 3-[(methoxycarbonylmethyl)sulfamoyl]thiophene-2-carboxylate

The IUPAC name of Methyl 3-[(methoxycarbonylmethyl)sulfamoyl]thiophene-2-carboxylate is methyl 3-[(2-methoxy-2-oxoethyl)sulfamoyl]thiophene-2-carboxylate. With the CAS registry number 106820-63-7, it is also named as 2-Thiophenecarboxylicacid, 3-[[(2-methoxy-2-oxoethyl)amino]sulfonyl]-, methyl ester. The product's categories are Intermediates of Tenoxicam; Esters; Thiophenes & Benzothiophenes. In addition, its molecular formula is C₉H₁₁NO₆S₂ and molecular weight is 293.32.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.65; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 7; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 126.6 Å²; (7)Index of Refraction: 1.542; (8)Molar Refractivity: 64.22 cm³; (9)Molar Volume: 203.8 cm³; (10)Polarizability: 25.45×10^-24cm³; (11)Surface Tension: 51.4 dyne/cm; (12)Density: 1.438 g/cm³; (13)Flash Point: 227.4 °C; (14)Melting point: 96-98 °C; (15)Enthalpy of Vaporization: 71.15 kJ/mol; (16)Boiling Point: 452.3 °C at 760 mmHg; (17)Vapour Pressure: 2.27E-08 mmHg at 25 °C.

Preparation of Methyl 3-[(methoxycarbonylmethyl)sulfamoyl]thiophene-2-carboxylate: this chemical can be prepared by the reaction of glycine methyl ester; hydrochloride with 3-chlorosulfonyl-2-methoxycarbonyl thiophene.



This reaction needs pyridine at ambient temperature for 4 hours. The yield is 71 %.

Uses of Methyl 3-[(methoxycarbonylmethyl)sulfamoyl]thiophene-2-carboxylate: it can be used to produce methyl 4-hydroxy-2H-thieno[2,3-e]-1,2-thiazine-3-carboxylate 1,1-dioxide.



This reaction needs CH₃ONa, methanol and hexane by heating for 6 hours. The yield is 58 %.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(OC)c1sccc1S(=O)(=O)NCC(=O)OC
(2)InChI: InChI=1/C9H11NO6S2/c1-15-7(11)5-10-18(13,14)6-3-4-17-8(6)9(12)16-2/h3-4,10H,5H2,1-2H3
(3)InChIKey: KUTKKTKUSGIBPZ-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C9H11NO6S2/c1-15-7(11)5-10-18(13,14)6-3-4-17-8(6)9(12)16-2/h3-4,10H,5H2,1-2H3
(5)Std. InChIKey: KUTKKTKUSGIBPZ-UHFFFAOYSA-N