3,11-Dichloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepine 5,5-dioxide
3,11-Dichloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepine 5,5-dioxide Basic information
- Product Name:
- 3,11-Dichloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepine 5,5-dioxide
- Synonyms:
-
- Dibenzo[c,f][1,2]thiazepine,3,11-dichloro-6,11-dihydro-6-methyl-,5,5-dioxide
- 3,11-DICHLORO-6,11-6-METHYLDIBENZO[C,F][1,2]THIAZEPINE5,5-DIOXIDE
- 5,8-DICHLORO-10-DIOXO-11-METHYL-DIBENZO[C,F][1,2]THIAZEPINE
- DIBENZO[C,F][1,2]THIAZEPINE,3,11-DICHLORO-6,11-DIHYDRO-6-METHYL-,5,5-DIOXIDE (8CI,9CI)
- 3-Chloro-6,11-dihydro-6-methyl-11-chlorodibenzo[c,f][1,2]thiazepine 5,5-dioxide
- 3,11-Dichloro-6,11-dihydro-6-methyl-5,5-dioxodibenzo[c,f][1,2]thiazepine
- rac 3,11-Dichloro-6,11-dihydro-6-methyl-dibenzo[c,f][1,2]thiazepine 5,5-Dioxide
- Tianeptine InterMediate (the ninth step)
- CAS:
- 26638-66-4
- MF:
- C14H11Cl2NO2S
- MW:
- 328.21
- EINECS:
- 247-866-8
- Product Categories:
-
- Intermediate
- Aromatics
- Heterocycles
- Intermediates & Fine Chemicals
- Pharmaceuticals
- 26638-66-4
- Mol File:
- 26638-66-4.mol
3,11-Dichloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepine 5,5-dioxide Chemical Properties
- Melting point:
- >233oC (dec.)
- Boiling point:
- 445.3±55.0 °C(Predicted)
- Density
- 1.54±0.1 g/cm3(Predicted)
- storage temp.
- 2-8°C
- solubility
- DMSO (Slightly)
- form
- Solid
- pka
- -4.11±0.40(Predicted)
- color
- White
- InChI
- InChI=1S/C14H11Cl2NO2S/c1-17-12-5-3-2-4-10(12)14(16)11-7-6-9(15)8-13(11)20(17,18)19/h2-8,14H,1H3
- InChIKey
- FHICZIHQHGRZLE-UHFFFAOYSA-N
- SMILES
- S1(=O)(=O)C2=CC(Cl)=CC=C2C(Cl)C2=CC=CC=C2N1C
3,11-Dichloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepine 5,5-dioxide Usage And Synthesis
Chemical Properties
Off-White Solid
Uses
Intermediate in the preparation of Tianeptine and respective metabolites
Synthesis
26723-60-4
26638-66-4
General procedure for the synthesis of 3,11-dichloro-6,11-dihydro-6-methyl-dibenzo[c,f][1,2]thiazepin-11-ol 5,5-dioxide from 3-chloro-6,11-dihydro-6-methyl-dibenzo[c,f][1,2]thiazepin 5,5-dioxide: the compound of formula III (58.0 g) was suspended in dichloromethane ( 600 ml) and cooled to 0-10°C. Hydrogen chloride gas was passed into the suspension at 0-10°C and the reaction was kept for 2-4 hours. Upon completion of the reaction, the precipitate was collected by filtration and the resulting solid was dried to constant weight to afford the target product 3,11-dichloro-6,11-dihydro-6-methyl-dibenzo[c,f][1,2]thiazepine 5,5-dioxide in 90-95% yield.
References
[1] Patent: WO2010/70667, 2010, A2. Location in patent: Page/Page column 5
[2] Journal of Medicinal Chemistry, 1992, vol. 35, # 13, p. 2481 - 2496
3,11-Dichloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepine 5,5-dioxideSupplier
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3,11-Dichloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepine 5,5-dioxide(26638-66-4)Related Product Information
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- Zirconium dioxide
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