ChemicalBook--->CAS DataBase List--->230301-73-2

230301-73-2

230301-73-2 Structure

230301-73-2 Structure
IdentificationBack Directory
[Name]

tert-butyl 6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate
[CAS]

230301-73-2
[Synonyms]

tert-Butyl 6,7-dihydrothieno[3,2-c]pyridine-5(4H)
tert-butyl 4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carboxylate
tert-butyl 6,7-dihydrothieno[3,2-c]pyridin-5(4H)-carboxylate
tert-butyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
tert-butyl 6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate
6,7-dihydro-4H-thieno[3,2-c]-pyridine-5-carboxylic acid tert-butyl ester
Thieno[3,2-c]pyridine-5(4H)-carboxylic acid, 6,7-dihydro-, 1,1-diMethylethyl ester
[Molecular Formula]

C12H17NO2S
[MDL Number]

MFCD11518948
[MOL File]

230301-73-2.mol
[Molecular Weight]

239.33
Chemical PropertiesBack Directory
[Boiling point ]

339.1±42.0 °C(Predicted)
[density ]

1.173
[storage temp. ]

2-8°C(protect from light)
[pka]

-1.51±0.20(Predicted)
[Appearance]

White to off-white Solid
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Spectrum DetailBack Directory
[Spectrum Detail]

tert-butyl 6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate(230301-73-2)1HNMR
Hazard InformationBack Directory
[Synthesis]

Di-tert-butyl dicarbonate

24424-99-5

4,5,6,7-Tetrahydrothieno[3,2,c] pyridine hydrochloride

28783-41-7

tert-butyl 6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate

230301-73-2

The general procedure for the synthesis of tert-butyl 6,7-dihydrothieno[3,2-C]pyridine-5(4H)-carboxylate from 4,5,6,7-tetrahydrothieno[3,2-c]pyridine hydrochloride (5 g, 28.46 mmol) and di-tert-butyl dicarbonate (6.83 g, 31.30 mmol) is as follows: 4,5,6,7-tetrahydrothieno[3,2-c] pyridine hydrochloride was suspended in 150 mL of dichloromethane, triethylamine (3.17 g, 31.30 mmol) was added followed by slow addition of solid di-tert-butyl dicarbonate. The reaction mixture was stirred at room temperature for 2 hours. After completion of the reaction, the organic phase was washed sequentially with water (2 x 100 mL) and brine (2 x 100 mL), dried over anhydrous sodium sulfate and filtered. The filtrate was concentrated under reduced pressure to give a colorless oily product (6.8 g, 100% yield), which solidified to a white solid on standing.

[References]

[1] Patent: WO2009/49028, 2009, A1. Location in patent: Page/Page column 156
[2] Patent: CN104497008, 2016, B. Location in patent: Paragraph 0190; 0192; 0193
[3] Journal of Medicinal Chemistry, 2014, vol. 57, # 9, p. 3687 - 3706
[4] Patent: CN104341433, 2017, B. Location in patent: Paragraph 0036; 0037
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