tert-Butyl 4-cyano-4-(hydroxymethyl)piperidine-1-carboxylate

Name: tert-Butyl 4-cyano-4-(hydroxymethyl)piperidine-1-carboxylate
Brand: ChemScene
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CAS No. 614730-96-0
Cat. No. CS-0038741
Purity≥97%
MDL No.MFCD11877842

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Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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tert-Butyl 4-cyano-4-(hydroxymethyl)piperidine-1-carboxylate|CS-0038741

Structure of 614730-96-0

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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.

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

Computational Chemistry Data

TPSA 73.56
LogP 1.51958
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 1

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P301+P310-P330-P501

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Other Classifications

Building Blocks Functional Group Alcohol

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aliphatic heterocycle compounds Piperidine compounds

Key Words

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tert-Butyl 4-cyano-4-(hydroxymethyl)piperidine-1-carboxylate

CAS No. 614730-96-0

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