Lot numbers can be found on the outside label of a product:
tert-Butyl 4-cyano-4-(hydroxymethyl)piperidine-1-carboxylate
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CAS No. 614730-96-0
- Cat. No. CS-0038741
- Purity≥97%
- MDL No.MFCD11877842
*For research and further manufacturing use only, not for direct human use.
Structure of 614730-96-0
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General Information
- CAS No. 614730-96-0
- Cat. No. CS-0038741
- Purity ≥97%
- MDL No. MFCD11877842
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₂H₂₀N₂O₃
- Molecular Weight 240.30
- Synonym(s) tert-Butyl 4-cyano-4-(hydroxymethyl)piperidin-1-carboxylate
- SMILES CC(C)(C)OC(=O)N1CCC(CC1)(C#N)CO
Description
tert-Butyl 4-cyano-4-(hydroxymethyl)piperidine-1-carboxylate features a sterically hindered piperidine core bearing both a cyano group and a hydroxymethyl substituent, enabling selective functionalization in complex synthesis. This bench-stable intermediate integrates readily into medicinal chemistry workflows, offering a versatile handle for downstream derivatization via oxidation or substitution reactions.
Application
tert-Butyl 4-cyano-4-(hydroxymethyl)piperidine-1-carboxylate serves as a versatile building block in medicinal chemistry, enabling efficient access to piperidine-based scaffolds. The pendant hydroxymethyl group facilitates downstream functionalization via oxidation or substitution, while the nitrile and tert-butoxycarbonyl groups offer orthogonal reactivity for selective transformations. Its bench-stable nature and compatibility with standard coupling and reduction protocols make it ideal for multi-step synthesis of bioactive molecules.
Synthesis
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References
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ASTRAZENECA AB Patent: WO2007/30061 A1, 2007 ; Location in patent: Page/Page column 92-93 ; WO 2007/030061 A1
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Route2
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1016258-66-4 - ~82%
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In-stock
614730-96-0
References
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Giordanetto, Fabrizio; Wallberg, Andreas; Knerr, Laurent; Selmi, Nidhal; Ullah, Victoria; Thorstensson, Fredrik; Lindelo, Asa; Karlsson, Staffan; Nikitidis, Grigorios; Llinas, Antonio; Wang, Qing-Dong; Lindqvist, Anders; Hoegberg, Agot; Lindhardt, Emma; Astrand, Annika; Duker, Goeran Bioorganic and Medicinal Chemistry Letters, 2013 , vol. 23, # 1 p. 119 - 124
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Route3
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50-00-0 -
In-stock
91419-52-2 - ~37%
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In-stock
614730-96-0
References
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Gilbert, Eric J.; Zhou, Guowei; Wong, Michael K.C.; Tong, Ling; Shankar, Bandarpalle B.; Huang, Chunli; Kelly, Joseph; Lavey, Brian J.; McCombie, Stuart W.; Chen, Lei; Rizvi, Razia; Dong, Youhao; Shu, Youheng; Kozlowski, Joseph A.; Shih, Neng-Yang; Hipkin, R. William; Gonsiorek, Waldemar; Malikzay, Asra; Lunn, Charles A.; Favreau, Len; Lundell, Daniel J. Bioorganic and Medicinal Chemistry Letters, 2010 , vol. 20, # 2 p. 608 - 611
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302
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Precautionary Statements : P264-P270-P301+P310-P330-P501
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Quality Control
Computational Chemistry Data
- TPSA 73.56
- LogP 1.51958
- H_Acceptors 4
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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