tert-Butyl (3S)-3-phenylpiperazine-1-carboxylate

Name: tert-Butyl (3S)-3-phenylpiperazine-1-carboxylate
Brand: ChemScene
Availability: InStock
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CAS No. 1221274-36-7
Cat. No. CS-0048541
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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tert-Butyl (3S)-3-phenylpiperazine-1-carboxylate|CS-0048541

Structure of 1221274-36-7

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General Information

CAS No. 1221274-36-7
Cat. No. CS-0048541
Purity ≥97%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₅H₂₂N₂O₂
Molecular Weight 262.35
Synonym(s) S-4-Boc-3-phenylpiperazine
SMILES CC(C)(C)OC(=O)N1CCN[C@H](C1)C1=CC=CC=C1

Description

tert-Butyl (3S)-3-phenylpiperazine-1-carboxylate is a stereochemically defined piperazine derivative featuring a chiral (3S) center and a phenyl group at the 3-position. This bench-stable, moisture-tolerant building block integrates readily into medicinal chemistry campaigns targeting CNS-active compounds and GPCR modulators. The tert-butyl ester facilitates selective deprotection under mild acidic conditions, enabling efficient access to functionalized piperazine scaffolds.

Application

tert-Butyl (3S)-3-phenylpiperazine-1-carboxylate serves as a stereochemically defined building block for the synthesis of bioactive piperazine derivatives. Its tert-butyl carbamate protection enables stable handling and selective deprotection under mild acidic conditions, facilitating downstream functionalization. The phenyl-substituted piperazine core provides a rigid, polar scaffold compatible with diverse coupling reactions and functional group transformations in medicinal chemistry workflows.

Synthesis

Route1
- 1399859-57-4
- ~99%
- In-stock
  
  1221274-36-7
References
- Jida, Mouhamad; Laconde, Guillaume; Soueidan, Olivier-Mohamad; Lebegue, Nicolas; Revelant, Germain; Pelinski, Lydie; Agbossou-Niedercorn, Francine; Deprez, Benoit; Deprez-Poulain, Rebecca Tetrahedron Letters, 2012 , vol. 53, # 39 p. 5215 - 5218

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-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 41.57
LogP 2.568
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

Building Blocks Skeleton Aliphatic heterocycle compounds Piperazine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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tert-Butyl (3S)-3-phenylpiperazine-1-carboxylate

CAS No. 1221274-36-7

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