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

Modify Date: 2024-01-05 17:43:27

ethyl (3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylate Structure
ethyl (3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylate structure
 Common Name ethyl (3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylate
CAS Number 145821-58-5 Molecular Weight 403.60100
Density 1.145g/cm3 Boiling Point 534.78ºC at 760 mmHg
Molecular Formula C22H29NO2S2 Melting Point N/A
MSDS N/A Flash Point 277.225ºC

 Names

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

 Chemical & Physical Properties

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

 Synthetic Route

N/A structure

N/A

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3-methyl-2-thienylboronic acid structure

3-methyl-2-thie...

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~74%

ethyl (3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylate Structure

ethyl (3R)-1-[4...

CAS#: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
4-BROMO-1,1-BIS(3-METHYL-2-THIENYL)-1-BUTENE structure

4-BROMO-1,1-BIS...

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(R)-(-)-NIPECOTIC ACID ETHYL ESTER structure

(R)-(-)-NIPECOT...

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~61%

ethyl (3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylate Structure

ethyl (3R)-1-[4...

CAS#: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
2-Bromo-3-methylthiophene structure

2-Bromo-3-methy...

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~%

ethyl (3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylate Structure

ethyl (3R)-1-[4...

CAS#: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
4-Bromo-1,1-bis(3-methyl-2-thienyl)-1-butanol structure

4-Bromo-1,1-bis...

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~%

ethyl (3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylate Structure

ethyl (3R)-1-[4...

CAS#: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
3-Methylthiophene-2-aldehyde structure

3-Methylthiophe...

CAS#:5834-16-2

~%

ethyl (3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylate Structure

ethyl (3R)-1-[4...

CAS#: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
bis(3-methylthiophen-2-yl)methanone structure

bis(3-methylthi...

CAS#:30717-55-6

~%

ethyl (3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylate Structure

ethyl (3R)-1-[4...

CAS#: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
bis(3-methyl-2-thienyl)methanol structure

bis(3-methyl-2-...

CAS#:148319-25-9

~%

ethyl (3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylate Structure

ethyl (3R)-1-[4...

CAS#: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
cyclopropylbis(3-methyl-2-thienyl)methanol structure

cyclopropylbis(...

CAS#:148319-26-0

~%

ethyl (3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylate Structure

ethyl (3R)-1-[4...

CAS#: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

 Synonyms

tiagabine ethyl ester
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Chemsrc provides CAS#:145821-58-5 MSDS, density, melting point, boiling point, structure, etc. Its name is ethyl (3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylate>> amp version: ethyl (3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylate

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