Product Name

  • Name

    Prasugrel

  • EINECS 601-365-4
  • CAS No. 115473-15-9
  • Article Data9
  • CAS DataBase
  • Density
  • Solubility
  • Melting Point 210 °C
  • Formula C7H10ClNOS
  • Boiling Point 364.3 °C at 760 mmHg
  • Molecular Weight 191.681
  • Flash Point 174.1 °C
  • Transport Information
  • Appearance Cream solid
  • Safety 24/25
  • Risk Codes
  • Molecular Structure Molecular Structure of 115473-15-9 (Prasugrel)
  • Hazard Symbols
  • 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);
  • PSA 54.40000
  • LogP 1.67890

Synthetic route

5-triphenylmethyl-2-oxo-2,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine
109904-26-9

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
115473-15-9

5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride

Conditions
ConditionsYield
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
109904-25-8

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
115473-15-9

5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride

Conditions
ConditionsYield
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
28783-41-7

6,7-dihydro-4H-thieno[3,2-c]pyridine hydrochloride

5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride
115473-15-9

5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride

Conditions
ConditionsYield
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
30433-91-1

[2-(2-thyenyl)ethyl]amine

5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride
115473-15-9

5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride

Conditions
ConditionsYield
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
230301-73-2

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
115473-15-9

5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride

Conditions
ConditionsYield
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
2-methoxy-5-tert-butoxycarbonyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

2-methoxy-5-tert-butoxycarbonyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride
115473-15-9

5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride

Conditions
ConditionsYield
With hydrogenchloride In methanol at 20℃; for 12h;6.5 g
2-bromo-1-cyclopropyl-2-(2-fluorophenyl)ethanone
204205-33-4

2-bromo-1-cyclopropyl-2-(2-fluorophenyl)ethanone

5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride
115473-15-9

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
150322-38-6

5-(2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl)-5,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2(4H)-one

Conditions
ConditionsYield
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
115473-15-9

5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride

2-Oxoclopidogrel
1147350-75-1

2-Oxoclopidogrel

Conditions
ConditionsYield
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
115473-15-9

5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride

(R)-2-(2-chlorophenyl)-2-(4-nitro sulfonyloxy)acetic acid methyl ester-d3

(R)-2-(2-chlorophenyl)-2-(4-nitro sulfonyloxy)acetic acid methyl ester-d3

(2S)-2-(2-chlorophenyl)-2-(2-oxo-7,7a-dihydrothieno[3,2-c]pyridine-5(2H,4H,6H)-yl)acetic acid methyl ester-d3

(2S)-2-(2-chlorophenyl)-2-(2-oxo-7,7a-dihydrothieno[3,2-c]pyridine-5(2H,4H,6H)-yl)acetic acid methyl ester-d3

Conditions
ConditionsYield
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
115473-15-9

5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride

methyl 2-bromo-2-(2-chlorophenyl)acetate
85259-19-4

methyl 2-bromo-2-(2-chlorophenyl)acetate

(SR)-methyl 2-(2-chlorophenyl)-2-(2-oxo-7,7a-dihydrothieno-[3,2-c]pyridin-5(2H,4H,6H)-yl)acetate

(SR)-methyl 2-(2-chlorophenyl)-2-(2-oxo-7,7a-dihydrothieno-[3,2-c]pyridin-5(2H,4H,6H)-yl)acetate

Conditions
ConditionsYield
With potassium hydrogencarbonate In acetonitrile at 20℃;62%
With potassium hydrogencarbonate; sodium iodide In N,N-dimethyl-formamide at 60℃; for 2h;
5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride
115473-15-9

5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride

2-bromo-2-cyclopropyl-1-phenylethan-1-one
84040-29-9

2-bromo-2-cyclopropyl-1-phenylethan-1-one

5-(α-cyclopropylcarbonylbenzyl)-2-oxo-2,4,5,6,7,7a-hexahydrothieno(3,2-c)pyridine

5-(α-cyclopropylcarbonylbenzyl)-2-oxo-2,4,5,6,7,7a-hexahydrothieno(3,2-c)pyridine

Conditions
ConditionsYield
With potassium hydrogencarbonate In acetonitrile at 10 - 15℃;60%
(R)-2-(2-chlorophenyl)-2-(4-nitrobenzenesulfonyloxy)acetic acid methyl ester

(R)-2-(2-chlorophenyl)-2-(4-nitrobenzenesulfonyloxy)acetic acid methyl ester

5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride
115473-15-9

5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride

A

(S)-(2-chlorophenyl)(2-hydroxy-6,7-dihydro-4H-thiophene[3,2-c]pyridin-5-yl)acetic acid methyl ester
1360591-38-3

(S)-(2-chlorophenyl)(2-hydroxy-6,7-dihydro-4H-thiophene[3,2-c]pyridin-5-yl)acetic acid methyl ester

B

C16H16ClNO3S

C16H16ClNO3S

Conditions
ConditionsYield
With potassium hydrogencarbonate In acetonitrile for 15h; Inert atmosphere;A 54%
B n/a
α-cyclopropylcarbonyl-2-fluorobenzyl chloride
178688-43-2

α-cyclopropylcarbonyl-2-fluorobenzyl chloride

5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride
115473-15-9

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
150322-38-6

5-(2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl)-5,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2(4H)-one

Conditions
ConditionsYield
With sodium carbonate In acetonitrile at 60℃; for 12h; Inert atmosphere;52%
With sodium carbonate In acetonitrile at 60℃; for 12h; Molecular sieve; Inert atmosphere;50%
methyl 2-chloro-2-(2-chlorophenyl)acetate
90055-47-3

methyl 2-chloro-2-(2-chlorophenyl)acetate

5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride
115473-15-9

5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride

(SR)-methyl 2-(2-chlorophenyl)-2-(2-oxo-7,7a-dihydrothieno-[3,2-c]pyridin-5(2H,4H,6H)-yl)acetate

(SR)-methyl 2-(2-chlorophenyl)-2-(2-oxo-7,7a-dihydrothieno-[3,2-c]pyridin-5(2H,4H,6H)-yl)acetate

Conditions
ConditionsYield
Stage #1: 5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride With potassium hydrogencarbonate; sodium iodide In N,N-dimethyl-formamide at 55℃; for 0.05h; Inert atmosphere;
Stage #2: methyl 2-chloro-2-(2-chlorophenyl)acetate In N,N-dimethyl-formamide at 55℃; for 0.166667h; Inert atmosphere;
44%
5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride
115473-15-9

5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride

acetic anhydride
108-24-7

acetic anhydride

5-acetyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl acetate

5-acetyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl acetate

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 0 - 5℃; for 1h; Inert atmosphere;20.03%
5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride
115473-15-9

5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride

2,4-dihydroxy-5- isopropylbenzoic acid
1184181-48-3

2,4-dihydroxy-5- isopropylbenzoic acid

5-(2,4-dihydroxy-5-isopropylbenzoyl)-5,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2(4H)-one

5-(2,4-dihydroxy-5-isopropylbenzoyl)-5,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2(4H)-one

Conditions
ConditionsYield
With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 40℃; for 4h;10%
2-bromo-1-cyclopropyl-2-(2-fluorophenyl)ethanone
204205-33-4

2-bromo-1-cyclopropyl-2-(2-fluorophenyl)ethanone

5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride
115473-15-9

5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride

acetic anhydride
108-24-7

acetic anhydride

prasugel
150322-43-3

prasugel

Conditions
ConditionsYield
Stage #1: 5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride With potassium carbonate In acetonitrile at 25 - 30℃; for 0.5h;
Stage #2: 2-bromo-1-cyclopropyl-2-(2-fluorophenyl)ethanone In acetonitrile at 25 - 30℃; for 6h;
Stage #3: acetic anhydride With triethylamine In acetonitrile at 0 - 30℃; for 6.5h;
Stage #1: 2-bromo-1-cyclopropyl-2-(2-fluorophenyl)ethanone; 5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride With sodium hydrogencarbonate In N,N-dimethyl-formamide at 50 - 55℃; for 2h;
Stage #2: acetic anhydride In N,N-dimethyl-formamide at 10 - 45℃;
2-bromo-1-cyclopropyl-2-(2-fluorophenyl)ethanone
204205-33-4

2-bromo-1-cyclopropyl-2-(2-fluorophenyl)ethanone

5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride
115473-15-9

5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride

5-(α-cyclopropylcarbonyl-2-fluorobenzyl)-2-oxo-2,4,5,6,7,7a-hexahydro thieno[3,2-c] pyridine hydrochloride
150322-39-7

5-(α-cyclopropylcarbonyl-2-fluorobenzyl)-2-oxo-2,4,5,6,7,7a-hexahydro thieno[3,2-c] pyridine hydrochloride

Conditions
ConditionsYield
Stage #1: 5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride With potassium carbonate In acetonitrile at 25 - 30℃; for 0.5h;
Stage #2: 2-bromo-1-cyclopropyl-2-(2-fluorophenyl)ethanone In acetonitrile at 25 - 30℃; for 7h;
Stage #3: With hydrogenchloride In ethyl acetate; acetone at 25 - 30℃; for 1h;
Stage #1: 2-bromo-1-cyclopropyl-2-(2-fluorophenyl)ethanone; 5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride With potassium carbonate In acetone; acetonitrile at 25 - 30℃; for 7.5h;
Stage #2: With hydrogenchloride In ethyl acetate; acetone at 25 - 30℃; for 1h;
2-bromo-1-cyclopropyl-2-(2-fluorophenyl)ethanone
204205-33-4

2-bromo-1-cyclopropyl-2-(2-fluorophenyl)ethanone

5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride
115473-15-9

5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride

CS-747 hydrochloride

CS-747 hydrochloride

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: potassium carbonate / acetonitrile / 0.5 h / 25 - 30 °C
1.2: 6 h / 25 - 30 °C
1.3: 6.5 h / 0 - 30 °C
2.1: hydrogenchloride / ethyl acetate; acetone / 0.75 h / 25 - 55 °C / Inert atmosphere
View Scheme
5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride
115473-15-9

5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride

prasugel
150322-43-3

prasugel

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: potassium carbonate / acetonitrile / 0.5 h / 25 - 30 °C
1.2: 7 h / 25 - 30 °C
2.1: N-ethyl-N,N-diisopropylamine / acetonitrile / 3.33 h / 10 - 30 °C
View Scheme
Multi-step reaction with 3 steps
1.1: potassium carbonate / acetonitrile / 0.5 h / 25 - 30 °C
1.2: 7 h / 25 - 30 °C
2.1: hydrogen bromide / water; acetone / 1 h / 0 - 5 °C
3.1: triethylamine / dichloromethane / 0.25 h / 25 - 30 °C
3.2: 6 h / 0 - 5 °C
View Scheme
Multi-step reaction with 2 steps
1.1: potassium carbonate / acetonitrile / 0.5 h / 25 - 30 °C
1.2: 6 h / 25 - 30 °C
1.3: 0 - 30 °C
2.1: triethylamine / dichloromethane / 0.25 h / 25 - 30 °C
2.2: 6 h / 0 - 5 °C
View Scheme
5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride
115473-15-9

5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride

CS-747 hydrochloride

CS-747 hydrochloride

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: potassium carbonate / acetonitrile / 0.5 h / 25 - 30 °C
1.2: 7 h / 25 - 30 °C
2.1: N-ethyl-N,N-diisopropylamine / acetonitrile / 3.33 h / 10 - 30 °C
3.1: hydrogenchloride / ethyl acetate; acetone / 0.75 h / 25 - 55 °C / Inert atmosphere
View Scheme
Multi-step reaction with 4 steps
1.1: potassium carbonate / acetonitrile / 0.5 h / 25 - 30 °C
1.2: 7 h / 25 - 30 °C
2.1: hydrogen bromide / water; acetone / 1 h / 0 - 5 °C
3.1: triethylamine / dichloromethane / 0.25 h / 25 - 30 °C
3.2: 6 h / 0 - 5 °C
4.1: hydrogenchloride / ethyl acetate; acetone / 0.75 h / 25 - 55 °C / Inert atmosphere
View Scheme
Multi-step reaction with 3 steps
1.1: potassium carbonate / acetonitrile / 0.5 h / 25 - 30 °C
1.2: 6 h / 25 - 30 °C
1.3: 0 - 30 °C
2.1: triethylamine / dichloromethane / 0.25 h / 25 - 30 °C
2.2: 6 h / 0 - 5 °C
3.1: hydrogenchloride / ethyl acetate; acetone / 0.75 h / 0 - 5 °C
View Scheme
5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride
115473-15-9

5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride

5-(α-cyclopropylcarbonyl-2-fluorobenzyl)-2-oxo-2,4,5,6,7,7a-hexahydro thieno[3,2-c] pyridine hydrochloride
150322-39-7

5-(α-cyclopropylcarbonyl-2-fluorobenzyl)-2-oxo-2,4,5,6,7,7a-hexahydro thieno[3,2-c] pyridine hydrochloride

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: potassium carbonate / acetonitrile / 0.5 h / 25 - 30 °C
1.2: 7 h / 25 - 30 °C
2.1: hydrogen bromide / water; acetone / 1 h / 0 - 5 °C
3.1: ammonia / dichloromethane; water / 0 - 30 °C
3.2: 1 h / 25 - 30 °C
View Scheme
2-bromo-1-cyclopropyl-2-(2-fluorophenyl)ethanone
204205-33-4

2-bromo-1-cyclopropyl-2-(2-fluorophenyl)ethanone

5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride
115473-15-9

5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride

5-(α-cyclopropylcarbonyl-2-fluorobenzyl)-2-oxo-2,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine hydrobromide
1243654-57-0

5-(α-cyclopropylcarbonyl-2-fluorobenzyl)-2-oxo-2,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine hydrobromide

Conditions
ConditionsYield
Stage #1: 5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride With potassium carbonate In acetonitrile at 25 - 30℃; for 0.5h;
Stage #2: 2-bromo-1-cyclopropyl-2-(2-fluorophenyl)ethanone In acetonitrile at 25 - 30℃; for 6h;
Stage #3: With hydrogen bromide In water; acetone at 0 - 30℃;
Stage #1: 5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride With potassium carbonate In acetonitrile for 0.5h;
Stage #2: 2-bromo-1-cyclopropyl-2-(2-fluorophenyl)ethanone In acetonitrile at 10 - 15℃; for 2.5h;
Stage #3: With hydrogen bromide In water; acetone at 0 - 30℃; for 3h;
5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride
115473-15-9

5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride

tert-butyldimethylsilyl chloride
18162-48-6

tert-butyldimethylsilyl chloride

2-(tert-butyldimethylsilyloxy)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

2-(tert-butyldimethylsilyloxy)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

Conditions
ConditionsYield
With triethylamine In dichloromethane at 0 - 20℃; Inert atmosphere;
5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride
115473-15-9

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
150322-38-6

5-(2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl)-5,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2(4H)-one

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: triethylamine / dichloromethane / 0 - 20 °C / Inert atmosphere
2: triethylamine / dichloromethane / 20 °C / Inert atmosphere
3: hydrogenchloride; water / ethyl acetate / 20 °C
View Scheme
5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride
115473-15-9

5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride

2-(tert-butyldimethylsilyloxy)-5-(α-cyclopropylformyl-2-fluorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
952340-38-4

2-(tert-butyldimethylsilyloxy)-5-(α-cyclopropylformyl-2-fluorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: triethylamine / dichloromethane / 0 - 20 °C / Inert atmosphere
2: triethylamine / dichloromethane / 20 °C / Inert atmosphere
View Scheme
5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride
115473-15-9

5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride

tert-butyldimethylsilyl chloride
18162-48-6

tert-butyldimethylsilyl chloride

C13H23NOSSi*ClH

C13H23NOSSi*ClH

Conditions
ConditionsYield
With triethylamine In dichloromethane at 28 - 30℃; for 1.75h;
5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride
115473-15-9

5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride

C15H12FNO7S

C15H12FNO7S

5-(α-methoxycarbonyl-2-fluorobenzyl)-2-oxo-2,4,5,6,7,7a-hexahydrothieno[3,2-c ]pyridine

5-(α-methoxycarbonyl-2-fluorobenzyl)-2-oxo-2,4,5,6,7,7a-hexahydrothieno[3,2-c ]pyridine

Conditions
ConditionsYield
With potassium hydrogencarbonate In acetonitrile at 20℃;
5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride
115473-15-9

5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride

C15H12ClNO7S

C15H12ClNO7S

(R)-methyl 2-(2-chlorophenyl)-2-(2-oxo-7,7a-dihydrothieno-[3,2-c]pyridin-5(2H,4H,6H)-yl)acetate
1360923-54-1

(R)-methyl 2-(2-chlorophenyl)-2-(2-oxo-7,7a-dihydrothieno-[3,2-c]pyridin-5(2H,4H,6H)-yl)acetate

Conditions
ConditionsYield
With potassium hydrogencarbonate In acetonitrile at 20℃; for 26h; Inert atmosphere;
5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride
115473-15-9

5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride

(R)-methyl 2-(2-chlorophenyl)-2-(4-nitrophenylsulfonyloxy)-acetate

(R)-methyl 2-(2-chlorophenyl)-2-(4-nitrophenylsulfonyloxy)-acetate

(SR)-methyl 2-(2-chlorophenyl)-2-(2-oxo-7,7a-dihydrothieno-[3,2-c]pyridin-5(2H,4H,6H)-yl)acetate

(SR)-methyl 2-(2-chlorophenyl)-2-(2-oxo-7,7a-dihydrothieno-[3,2-c]pyridin-5(2H,4H,6H)-yl)acetate

Conditions
ConditionsYield
With potassium hydrogencarbonate In acetonitrile at 20℃; for 26h; Inert atmosphere;
5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride
115473-15-9

5,6,7,7a-tetrahydro-thieno[3,2-c]pyridin-2(4H)-one hydrochloride

methyl 2-phenyl-2-(((p-nitrophenyl)sulfonyl)oxy)acetate
142026-00-4, 87119-37-7

methyl 2-phenyl-2-(((p-nitrophenyl)sulfonyl)oxy)acetate

Methyl alpha-(2-oxo 2,4,5,6,7,7a-hexahydro thieno [3,2-c] 5-pyridyl) phenyl-acetate
109904-28-1

Methyl alpha-(2-oxo 2,4,5,6,7,7a-hexahydro thieno [3,2-c] 5-pyridyl) phenyl-acetate

Conditions
ConditionsYield
With potassium hydrogencarbonate In acetonitrile at 20℃;

5,6,7,7a-Tetrahydrothieno[3,2-c]pyridine-2(4H)-one hydrochloride Chemical Properties

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

5,6,7,7a-Tetrahydrothieno[3,2-c]pyridine-2(4H)-one hydrochloride Specification

 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 .

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