145821-58-5

145821-58-5 structure

Name: ethyl (3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylate
Chemical Name: ethyl (3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylate
CAS Number: 145821-58-5
Molecular Formula: C₂₂H₂₉NO₂S₂
Molecular Weight: 403.60100
Create Date: 2018-07-20 12:41:53
Modify Date: 2025-09-19 17:42:31

Name	ethyl (3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylate
Synonyms	tiagabine ethyl ester

Density	1.145g/cm3
Boiling Point	534.78ºC at 760 mmHg
Molecular Formula	C₂₂H₂₉NO₂S₂
Molecular Weight	403.60100
Flash Point	277.225ºC
Exact Mass	403.16400
PSA	86.02000
LogP	5.46120
Vapour Pressure	0mmHg at 25°C
Index of Refraction	1.575

1238888-42-0

177735-09-0

~74%

145821-58-5

Literature: Bartoli, Giuseppe; Cipolletti, Roberto; Di Antonio, Giustino; Giovannini, Riccardo; Lanari, Silvia; Marcolini, Mauro; Marcantoni, Enrico Organic and Biomolecular Chemistry, 2010 , vol. 8, # 15 p. 3509 - 3517

109857-81-0

25137-01-3

~61%

145821-58-5

Literature: Zheng, Jianbin; Wen, Ren; Luo, Xiaomin; Lin, Guoqiang; Zhang, Jiange; Xu, Linfeng; Guo, Lihe; Jiang, Hualiang Bioorganic and Medicinal Chemistry Letters, 2006 , vol. 16, # 1 p. 225 - 227

14282-76-9

145821-58-5

Literature: Andersen, Knud Erik; Braestrup, Claus; Groenwald, Frederik C.; Joergensen, Anker S.; Nielsen, Erik B.; et al. Journal of Medicinal Chemistry, 1993 , vol. 36, # 12 p. 1716 - 1725

922184-80-3

145821-58-5

Literature: Andersen, Knud Erik; Braestrup, Claus; Groenwald, Frederik C.; Joergensen, Anker S.; Nielsen, Erik B.; et al. Journal of Medicinal Chemistry, 1993 , vol. 36, # 12 p. 1716 - 1725

5834-16-2

145821-58-5

Literature: Andersen, Knud Erik; Braestrup, Claus; Groenwald, Frederik C.; Joergensen, Anker S.; Nielsen, Erik B.; et al. Journal of Medicinal Chemistry, 1993 , vol. 36, # 12 p. 1716 - 1725

30717-55-6

145821-58-5

Literature: Andersen, Knud Erik; Braestrup, Claus; Groenwald, Frederik C.; Joergensen, Anker S.; Nielsen, Erik B.; et al. Journal of Medicinal Chemistry, 1993 , vol. 36, # 12 p. 1716 - 1725

148319-25-9

145821-58-5

Literature: Andersen, Knud Erik; Braestrup, Claus; Groenwald, Frederik C.; Joergensen, Anker S.; Nielsen, Erik B.; et al. Journal of Medicinal Chemistry, 1993 , vol. 36, # 12 p. 1716 - 1725

148319-26-0

145821-58-5

Literature: Andersen, Knud Erik; Braestrup, Claus; Groenwald, Frederik C.; Joergensen, Anker S.; Nielsen, Erik B.; et al. Journal of Medicinal Chemistry, 1993 , vol. 36, # 12 p. 1716 - 1725

Precursor 7
177735-09-0 109857-81-0 25137-01-3 14282-76-9
922184-80-3 5834-16-2 30717-55-6
DownStream 1
115103-54-3

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