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CAS No.: | 115473-15-9 |
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Name: | Prasugrel |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C7H10ClNOS |
Molecular Weight: | 191.681 |
Synonyms: | 2-oxo-2,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine.Hydrochloride;Thieno[3,2-c]pyridin-2(4H)-one,5,6,7,7a-tetrahydro-, hydrochloride (1:1); |
EINECS: | 601-365-4 |
Melting Point: | 210 °C |
Boiling Point: | 364.3 °C at 760 mmHg |
Flash Point: | 174.1 °C |
Appearance: | Cream solid |
Safety: | 24/25 |
PSA: | 54.40000 |
LogP: | 1.67890 |
5-triphenylmethyl-2-oxo-2,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine
5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride
Conditions | Yield |
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With hydrogenchloride In water; acetone at 25 - 50℃; for 1h; | 99% |
With hydrogenchloride In ethanol at 45℃; Solvent; Inert atmosphere; | 76% |
With hydrogenchloride; water In acetone at 56℃; for 3h; |
5-trityl-4,5,6,7-tetrahydro-tieno[3,2-c]pyridine
5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride
Conditions | Yield |
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Stage #1: N-trityl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine With N,N,N,N,-tetramethylethylenediamine; n-hexyllithium In toluene at 0℃; Large scale; Stage #2: With boric acid tributyl ester In toluene at 0℃; for 1h; Large scale; Further stages; | 86.1% |
Multi-step reaction with 2 steps 1.1: n-butyllithium / tetrahydrofuran / 1 h / 0 - 15 °C / Inert atmosphere 1.2: 1 h / 0 - 15 °C / Inert atmosphere 1.3: 2 h / 0 - 30 °C 2.1: hydrogenchloride; water / acetone / 3 h / 25 - 30 °C View Scheme | |
Multi-step reaction with 2 steps 1.1: n-butyllithium / toluene; hexane; tetrahydrofuran / -5 - 10 °C 1.2: -5 - 10 °C 2.1: hydrogenchloride / water; acetone / 1 h / 25 - 50 °C View Scheme | |
Multi-step reaction with 2 steps 1.1: n-butyllithium / tetrahydrofuran / 1 h / 0 - 15 °C / Inert atmosphere 1.2: 1 h / 0 - 15 °C 1.3: 1.75 h / 0 - 30 °C / Reflux 2.1: hydrogenchloride / acetone / 4.5 h / 25 - 30 °C / Reflux View Scheme |
6,7-dihydro-4H-thieno[3,2-c]pyridine hydrochloride
5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride
Conditions | Yield |
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Multi-step reaction with 3 steps 1.1: triethylamine / dichloromethane / 9 h / 0 - 5 °C 2.1: n-butyllithium / tetrahydrofuran / 1 h / 0 - 15 °C / Inert atmosphere 2.2: 1 h / 0 - 15 °C / Inert atmosphere 2.3: 2 h / 0 - 30 °C 3.1: hydrogenchloride; water / acetone / 3 h / 25 - 30 °C View Scheme | |
Multi-step reaction with 3 steps 1.1: triethylamine / dichloromethane / 12 - 28 °C 2.1: n-butyllithium / toluene; hexane; tetrahydrofuran / -5 - 10 °C 2.2: -5 - 10 °C 3.1: hydrogenchloride / water; acetone / 1 h / 25 - 50 °C View Scheme | |
Multi-step reaction with 3 steps 1.1: triethylamine / dichloromethane / 9 h / 0 - 5 °C 2.1: n-butyllithium / tetrahydrofuran / 1 h / 0 - 15 °C / Inert atmosphere 2.2: 1 h / 0 - 15 °C 2.3: 1.75 h / 0 - 30 °C / Reflux 3.1: hydrogenchloride / acetone / 4.5 h / 25 - 30 °C / Reflux View Scheme | |
Multi-step reaction with 4 steps 1.1: potassium carbonate / 1,4-dioxane / 0.5 h / 80 °C 1.2: 1 h 2.1: copper dichloride / methanol / 4 h 3.1: methanol / 24 h / Inert atmosphere; Reflux 4.1: hydrogenchloride / methanol / 12 h / 20 °C View Scheme |
[2-(2-thyenyl)ethyl]amine
5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride
Conditions | Yield |
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Multi-step reaction with 4 steps 1.1: dichloromethane / 40 - 45 °C 1.2: 20 - 70 °C 2.1: triethylamine / dichloromethane / 12 - 28 °C 3.1: n-butyllithium / toluene; hexane; tetrahydrofuran / -5 - 10 °C 3.2: -5 - 10 °C 4.1: hydrogenchloride / water; acetone / 1 h / 25 - 50 °C View Scheme |
6,7-dihydro-4H-thieno[3,2-c]-pyridine-5-carboxylic acid tert-butyl ester
5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: copper dichloride / methanol / 4 h 2: methanol / 24 h / Inert atmosphere; Reflux 3: hydrogenchloride / methanol / 12 h / 20 °C View Scheme |
5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride
Conditions | Yield |
---|---|
With hydrogenchloride In methanol at 20℃; for 12h; | 6.5 g |
2-bromo-1-cyclopropyl-2-(2-fluorophenyl)ethanone
5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride
5-(2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl)-5,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2(4H)-one
Conditions | Yield |
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With ammonium bicarbonate In dichloromethane at 5 - 20℃; | 98% |
With copper(l) iodide; sodium carbonate; XPhos In 1,4-dioxane at 60℃; for 3h; Reagent/catalyst; Temperature; Inert atmosphere; | 90.2% |
With potassium phosphate; iodine In 1,4-dioxane at 80℃; for 4h; Temperature; Time; Reagent/catalyst; | 87.6% |
5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride
2-Oxoclopidogrel
Conditions | Yield |
---|---|
With potassium hydrogencarbonate In acetonitrile at 20℃; for 26h; Inert atmosphere; | 70% |
With potassium hydrogencarbonate In acetonitrile at 20℃; for 26h; Inert atmosphere; | 70% |
Stage #1: 5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride With water; potassium carbonate In dichloromethane for 0.166667h; Stage #2: (R)-2-(2-chlorophenyl)-2-(4-nitrobenzenesulfonyloxy)acetic acid methyl ester In dichloromethane for 6h; Reflux; | |
With potassium hydrogencarbonate In acetonitrile at 20℃; for 26h; Inert atmosphere; | 18.1 g |
With potassium carbonate In acetonitrile at 25 - 35℃; for 12h; | 25.4 g |
5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride
Conditions | Yield |
---|---|
With potassium hydrogencarbonate In acetonitrile at 20℃; for 26h; Inert atmosphere; | 70% |
With potassium hydrogencarbonate In acetonitrile at 20℃; for 26h; Inert atmosphere; | 70% |
5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride
methyl 2-bromo-2-(2-chlorophenyl)acetate
Conditions | Yield |
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With potassium hydrogencarbonate In acetonitrile at 20℃; | 62% |
With potassium hydrogencarbonate; sodium iodide In N,N-dimethyl-formamide at 60℃; for 2h; |
Following is the structure of Thieno[3,2-c]pyridin-2(4H)-one,5,6,7,7a-tetrahydro-, hydrochloride (1:1) (CAS NO.115473-15-9):
Empirical Formula: C7H10ClNOS
Molecular Weight: 191.6784
Melting point: 2100 °C
Flash Point: 174.1 °C
Enthalpy of Vaporization: 62.25 kJ/mol
Boiling Point: 364.3 °C at 760 mmHg
Vapour Pressure: 1.17E-05 mmHg at 25 °C
Appearance of Thieno[3,2-c]pyridin-2(4H)-one,5,6,7,7a-tetrahydro-, hydrochloride (1:1) (CAS NO.115473-15-9): Cream Solid
Product Categories of Thieno[3,2-c]pyridin-2(4H)-one,5,6,7,7a-tetrahydro-, hydrochloride (1:1) (CAS NO.115473-15-9): Heterocyclic Compounds; Heterocycles; Sulfur & Selenium Compounds
SMILES: Cl.O=C1/C=C2/CNCCC2S1
InChI: InChI=1/C7H9NOS.ClH/c9-7-3-5-4-8-2-1-6(5)10-7;/h3,6,8H,1-2,4H2;1H
InChIKey: PUQKTVAKLPDUAW-UHFFFAOYAV
Thieno[3,2-c]pyridin-2(4H)-one,5,6,7,7a-tetrahydro-, hydrochloride (1:1) , its cas register number 115473-15-9. It also can be called 5,6,7,7a-Tetrahydrothieno[3,2-c]pyridine-2(4H)-one hydrochloride .