Dibenzo[c,f][1,2]thiazepin-11(6H)-one,3-chloro-6-methyl-, 5,5-dioxide (26638-53-9)

The systematic name of this product is 3-chloro-6-methyldibenzo[c,f][1,2]thiazepin-11(6H)-one 5,5-dioxide . With the CAS registry number 26638-53-9, it is also named as dibenzo[c,f][1,2]thiazepin-11(6H)-one, 3-chloro-6-methyl-, 5,5-dioxide ; 3-Chloro-6,11,-dihydro-6-methyl,5,511-trioxodibenzo[c,f][1,2]thiazepine ; 8-chloro-10-dioxo-11-methyl-dibenzo[c,f] [1,2]thiazepine-5-one .

The product is yellowish crystalline powder or cream sexual which should be stored at the normal temperature and avoid direct sunshine. The product's categories are various metabolites and impurities, intermediates & fine chemicals, pharmaceuticals and sulfur & selenium compounds. It is used as a metabolite of Tianeptine antidepressant. Additionally, it is also a triazine derivative as potent modulators of multidrug resistance.

The 3-Chloro-6-methyl-dibenzo[c,f][1,2]thiazepin-11(6H)-one 5,5-dioxide can be obtained by the raw material 4-chloro-2-sulfonyl methyl chlorobenzene . The reaction contains condensation, methylation, hydrogenolysis and cyclization. The optimum process conditions is n (4-chloro-2-sulfonyl methyl chlorobenzene) : n (pyridine) = 1:1.86 and n [4-chloro-2 (N-methyl-N-phenyl- amine sulfonyl)benzoic acid methyl ester]: n (sodium hydride) = 1:3. The reaction temperature is 100-110°C and the yield is 55.9%.

The other characteristics of this product can be summarized as: (1)ACD/BCF (pH 5.5): 31.47 ; (2)ACD/BCF (pH 7.4): 31.47 ; (3)ACD/KOC (pH 5.5): 411 ; (4)ACD/KOC (pH 7.4): 411 ; (5)#H bond acceptors: 4 ; (6)#H bond donors: 0 ; (7)Index of Refraction: 1.647 ; (8)Molar Refractivity: 76.31 cm³ ; (9)Molar Volume: 209.8 cm³ ; (10)Polarizability: 30.25×10^-24 cm³ ; (11)Surface Tension: 55.4 dyne/cm ; (12)Enthalpy of Vaporization: 76.2 kJ/mol ; (13)Vapour Pressure: 6.33E-10 mmHg at 25°C.

People can use the following data to convert to the molecule structure. SMILES: Clc1cc3c(cc1)C(=O)c2ccccc2N(C)S3(=O)=O; InChI: InChI=1/C14H10ClNO3S/c1-16-12-5-3-2-4-10(12)14(17)11-7-6-9(15)8-13(11)20(16,18)19/h2-8H,1H3. The 3-Chloro-6-methyl-dibenzo[c,f][1,2]thiazepin-11(6H)-one 5,5-dioxide has many suppliers, such as  Chemik Co., Ltd., Beijing Prepharm Lab Co., Ltd. and Ningbo Inno Pharmchem Co., Ltd..