5,6,7,7a-Tetrahydrothieno[3,2-c]pyridin-2(4H)-one hydrochloride (1:1)
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![5,6,7,7a-Tetrahydrothieno[3,2-c]pyridin-2(4H)-one hydrochloride (1:1) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/c1c6d9ca5333463a8b1813b3e27e0cff.png "5,6,7,7a-Tetrahydrothieno[3,2-c]pyridin-2(4H)-one hydrochloride (1:1)")
5,6,7,7a-Tetrahydrothieno[3,2-c]pyridin-2(4H)-one hydrochloride (1:1)
structure -
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CAS No:
115473-15-9
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Formula:
C7H9NOS.ClH
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Chemical Name:
5,6,7,7a-Tetrahydrothieno[3,2-c]pyridin-2(4H)-one hydrochloride (1:1)
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Synonyms:
Thieno[3,2-c]pyridin-2(4H)-one,5,6,7,7a-tetrahydro-,hydrochloride (1:1);Thieno[3,2-c]pyridin-2(4H)-one,5,6,7,7a-tetrahydro-,hydrochloride;5,6,7,7a-Tetrahydrothieno[3,2-c]pyridin-2(4H)-one hydrochloride (1:1);2H,4H,5H,6H,7H,7aH-Thieno[3,2-c]pyridin-2-one hydrochloride
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CAS No:
5,6,7,7a-Tetrahydrothieno[3,2-c]pyridin-2(4H)-one hydrochloride (1:1) Basic Attributes
191.68
191.017166
1806241-263-5
DTXSID20634063
2934999090
Characteristics
54.4
1.67890
Cream Solid
2100C (dec)
364.3ºC at 760 mmHg
174.1ºC
-20°C Freezer, Under Inert Atmosphere
Safety Information
IRRITANT
24/25
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
5,6,7,7a-Tetrahydrothieno[3,2-c]pyridin-2(4H)-one hydrochloride (1:1) Use and Manufacturing
Preparation of 5, 6, 7, 7a -Tetrahydro-4H- theino-[3, 2-c]- pyridone-2 hydrochlorideIn a 2 ltr 4-necked flask equipped with a thermometer and mechanical stirrer, hydrochloride (0.32 ml) was added in 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 +/-5 °C. Stir the reaction mass for 1 hr at 50 +/-2 °C then cool the reaction mass to 25 +/-5 °C and stir for 8 to 10 hrs at 25 +/-5 °C. Filter the product and wash with acetone. Dry the material under vacuum at 60 +/-2 °C to obtain 5, 6, 7, 7a -Tetrahydro-4H- theino-[3, 2-c]- pyridone-2 hydrochloride (42 g, 99percent).Optional purification:In a 2 ltr 4-necked flask equipped with a thermometer and mechanical stirrer, 5, 6, 7, 7a -Tetrahydro-4H- theino-[3, 2-c]- pyridone-2 hydrochloride (100 g) was charged in methanol, acetone, tetrahydrofuran or mixture thereof (300 ml) at 25 +/-5 °C and reflux the suspension for 30 minutes. Cool the mass to 10 +/-5 °C and stir for 1 to 2 hrs. Filter the product and wash with methanol, acetone or mixture thereof (50 ml). Dry the material under vacuum at 60 +/-2 °C to obtain pure 5, 6, 7, 7a -Tetrahydro-4H- theino- [3, 2-c]- pyridone-2 hydrochloride (80 g, 99.7percent).To 165 1 toluene 26.14 kg N-tritil-4, 5, 6, 7-tetrahydrothieno[2, 3-c]pyridine and 15.5 1 Ν, Ν, Ν', Ν'-tetramethyl-ethylene-diamine is measured. With stirring, the obtained solution is cooled at 0±3°C then 50.0 1 hexyl-lithium of 2.47 mol/1 concentration is added gradually in a 30-60 min period. After completion of the addition the yellow solution is stirred at 0±3°C for 30 min, then a mixture of 37.21 tributyl-borate and 37.2 1 toluene is added, then the solution is stirred for another 1 hour at 0±3°C. To the reaction mixture 30.7 1 hydrogen-peroxide of 30percent concentration is added. The temperature is allowed to elevate to 20-25°C and the mixture is stirred at this temperature for a further 1 hour. The toluene phase is washed first with 50 1, then 3x30 1 water. The organic phase is dried, evaporated then 110 1 acetone is added. 7.0 1 36percent hydrogen chloride is added to the suspension. After 1 hour stirring the product is filtered out and washed with 1x20.0 1 acetone and dried. (0079) Thus 11.31 kg title compound is obtained (yield: 86, 1percent).To 4 mL of DMF was added compound 2 (0.20 g, 1.02 mmol), 5, 6, 7, 7a-tetrahydrothieno[3, 2-c]pyridin-2 (4H)-one hydrochloride(5, 6, 7, 7a-tetrahydrothieno[3, 2-c] pyridin-2 (4H)-one hydrochloride, 0.29 ml, 1.53 mmol)1-ethyl-3-(3-dimethylaminopropyl)carbodiimide(1-ethyl-3-(3-dimethylaminopropyl)carbodiimide, 0.39 g, 2.04 mmol), N, N-diisopropylethylamine(N, N-diisopropylethylamine, a mixture of 0.36 mL, 2.04 mmol) in 40C was stirred for 4 hours. The mixture was concentrated under reduced pressure and purified by MPLC to give Oxo-DPide (1) in 10% yield.
Solifenacin intermediate
Computed Properties
Molecular Weight:191.68
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Exact Mass:191.0171628
Monoisotopic Mass:191.0171628
Topological Polar Surface Area:54.4
Heavy Atom Count:11
Complexity:200
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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5,6,7,7a-Tetrahydrothieno[3,2-c]pyridin-2(4H)-one hydrochloride (1:1)
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