Lot numbers can be found on the outside label of a product:
tert-Butyl 4-sulfanylpiperidine-1-carboxylate
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CAS No. 134464-79-2
- Cat. No. CS-W001414
- Purity≥97%
- MDL No.MFCD10566037
*For research and further manufacturing use only, not for direct human use.
Structure of 134464-79-2
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General Information
- CAS No. 134464-79-2
- Cat. No. CS-W001414
- Purity ≥97%
- MDL No. MFCD10566037
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₁₉NO₂S
- Molecular Weight 217.33
- Synonym(s) tert-Butyl 4-mercaptopiperidine-1-carboxylate
- SMILES SC1CCN(CC1)C(=O)OC(C)(C)C
Description
tert-Butyl 4-sulfanylpiperidine-1-carboxylate features a sulfanyl group at the piperidine C4 position, enabling direct functionalization in late-stage synthesis. The tert-butyl carbamate protects the amine under standard conditions while the thiol moiety offers high reactivity for copper-catalyzed couplings and conjugate additions. This stable, bench-ready building block streamlines access to sulfur-containing heterocycles in medicinal chemistry.
Application
tert-Butyl 4-sulfanylpiperidine-1-carboxylate serves as a versatile building block in medicinal chemistry, enabling the efficient construction of sulfanyl-containing piperidine scaffolds. The thiocarbamate group exhibits robust stability under standard reaction conditions, tolerates diverse functional groups, and facilitates straightforward deprotection to yield the corresponding free amine. Its bench-stable nature and compatibility with common coupling reactions make it ideal for iterative synthesis workflows in API development.
Synthesis
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Route1
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141699-66-3 - ~86%
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In-stock
134464-79-2
References
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SMITHKLINE BEECHAM CORPORATION Patent: WO2007/30366 A1, 2007 ; Location in patent: Page/Page column 136 ;
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Route2
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79099-07-3 - ~31%
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In-stock
134464-79-2
References
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ARRAY BIOPHARMA INC.; GENENTECH, INC.; DEMEESE, Jason; GAUDINO, John; NEITZEL, Alicia, Tarin; LUNGHOFER, Paul; JEONGBEOB, Seo; HONGQI, Tian; YOUNG, Wendy, B.; SUTHERLIN, Daniel, P. Patent: WO2009/33084 A1, 2009 ; Location in patent: Page/Page column 100 ; WO 2009/033084 A1
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Route3
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1373131-17-9
- ~53%
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In-stock
134464-79-2
References
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GENENTECH, INC.; FORMA TM, LLC; BAIR, Kenneth W.; BAUMEISTER, Timm R.; DRAGOVICH, Peter; GOSSELIN, Francis; YUEN, Po-Wai; ZAK, Mark; ZHENG, Xiaozhang Patent: WO2013/127267 A1, 2013 ; Location in patent: Page/Page column 102; 103 ;
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07,GHS08,GHS09
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Signal Word : Danger
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UN#: 3077
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Class : 9
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Packing Group : Ⅲ
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Hazard Statements : H315-H319-H372-H413
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Precautionary Statements : P264-P273-P280-P302+P352-P362+P364-P501
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Quality Control
Computational Chemistry Data
- TPSA 29.54
- LogP 2.3157
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 0
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Key Words
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