Benzyl (S)-2-(cyanomethyl)piperazine-1-carboxylate

Name: Benzyl (S)-2-(cyanomethyl)piperazine-1-carboxylate
Brand: ChemScene
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CAS No. 2158302-01-1
Cat. No. CS-0095743
Purity≥97%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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Benzyl (S)-2-(cyanomethyl)piperazine-1-carboxylate|CS-0095743

Structure of 2158302-01-1

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Description

Benzyl (S)-2-(cyanomethyl)piperazine-1-carboxylate features a chiral piperazine core with a cyanomethyl substituent, enabling precise stereochemical control in synthetic applications. This bench-stable derivative integrates readily into medicinal chemistry workflows, offering efficient access to bioactive scaffolds through orthogonal functionalization.

Application

Benzyl (S)-2-(cyanomethyl)piperazine-1-carboxylate serves as a versatile chiral building block in medicinal chemistry, enabling efficient access to piperazine-based pharmacophores. The cyanomethyl group provides a handle for downstream transformations such as amidation, reductive amination, or cyclization, while the benzyl ester offers stability and convenient deprotection under mild conditions. Its stereochemical purity supports reproducible synthesis of targeted API candidates.

General Information

CAS No. 2158302-01-1
Cat. No. CS-0095743
Purity ≥97%
MDL No. None
Storage RT, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₄H₁₇N₃O₂
Molecular Weight 259.30
Synonym(s) BENZYL 2-(CYANOMETHYL)PIPERAZINE-1-CARBOXYLATE
SMILES O=C(N1[C@@H](CC#N)CNCC1)OCC2=CC=CC=C2

Computational Chemistry Data

TPSA 65.36
LogP 1.51068
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 3

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-H315-H319-H335
Precautionary Statements : P261-P280-P302+P352

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Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aliphatic heterocycle compounds Piperazine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

Drug Discovery Cancer KRAS

Key Words

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Benzyl (S)-2-(cyanomethyl)piperazine-1-carboxylate

CAS No. 2158302-01-1

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