| Identification | More | [Name]
5,6,7,7a-Tetrahydrothieno[3,2-c]pyridine-2(4H)-one hydrochloride | [CAS]
115473-15-9 | [Synonyms]
5,6,7,7a-Tetrahydro-thieno[3,2-c]pyridin-2(4H)-one Hydrochloride
5,6,7,7a-Tetrahydro-thieno[3,2-c]pyridinone Hydrochloride
5,6,7,7a-Tetrahydrothieno[3,2-c]pyridine-2(4H)-one hydrochloride
2-oxo-2,4,5,6,7,7a-hexahydrothieno [3,2-c] pyridine. Hydrochloride | [EINECS(EC#)]
601-365-4 | [Molecular Formula]
C7H10ClNOS | [MDL Number]
MFCD11111130 | [Molecular Weight]
191.68 | [MOL File]
115473-15-9.mol |
| Chemical Properties | Back Directory | [Appearance]
Cream Solid | [Melting point ]
2100C (dec) | [storage temp. ]
Inert atmosphere,Store in freezer, under -20°C | [solubility ]
DMSO, Methanol, Water | [form ]
Solid | [color ]
Light Tan | [InChI]
InChI=1S/C7H9NOS.ClH/c9-7-3-5-4-8-2-1-6(5)10-7;/h3,6,8H,1-2,4H2;1H | [InChIKey]
PUQKTVAKLPDUAW-UHFFFAOYSA-N | [SMILES]
O=C1SC2CCNCC2=C1.Cl | [CAS DataBase Reference]
115473-15-9(CAS DataBase Reference) |
| Hazard Information | Back Directory | [Chemical Properties]
Cream Solid | [Uses]
Solifenacin intermediate | [Synthesis]
Hydrochloride (0.32 ml) was added in a solution of 5-Triphenyl methyl-tetrahydro-5, 6, 7,7a 4H- theino-[3,2-c]- pyridone-2 (100 g, 0.25 moles) in acetone (500 ml) at 25 °C. Stir the reaction mass for 1 hr at 50 °C, then cool the reaction mass to 25 °C and stir for 8 to 10 hrs at 25 °C. Filter the product and wash it with acetone. Dry the material under vacuum at 60 °C to obtain 5, 6, 7,7a -Tetrahydro-4H- theino-[3,2-c]- pyridone-2 hydrochloride (42 g, 99percent).
| [References]
[1] Patent: WO2012/1486, 2012, A1. Location in patent: Page/Page column 20
[2] Journal of Organic Chemistry, 2015, vol. 80, # 14, p. 7019 - 7032
[3] Patent: WO2009/62044, 2009, A2. Location in patent: Page/Page column 40
[4] Patent: WO2011/42918, 2011, A2. Location in patent: Page/Page column 43-44
[5] Patent: WO2011/92720, 2011, A2. Location in patent: Scheme 1 |
|
|