tert-Butyl (R)-3-(4-chlorophenyl)piperazine-1-carboxylate

Name: tert-Butyl (R)-3-(4-chlorophenyl)piperazine-1-carboxylate
Brand: ChemScene
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CAS No. 1228556-99-7
Cat. No. CS-0094304
Molecule weight296.80
Purity≥95%
MDL No.MFCD08686011

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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tert-Butyl (R)-3-(4-chlorophenyl)piperazine-1-carboxylate|CS-0094304

Structure of 1228556-99-7

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General Information

CAS No. 1228556-99-7
Cat. No. CS-0094304
Purity ≥95%
MDL No. MFCD08686011
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₅H₂₁ClN₂O₂
Molecular Weight 296.80
Synonym(s) None
SMILES O=C(N1C[C@@H](C2=CC=C(Cl)C=C2)NCC1)OC(C)(C)C

Description

tert-Butyl (R)-3-(4-chlorophenyl)piperazine-1-carboxylate is a chiral piperazine derivative featuring a bench-stable tert-butyl carbamate protecting group and a para-chlorophenyl substituent. This configuration enables efficient incorporation into bioactive molecules, particularly in CNS-targeted pharmaceuticals and chemical probes requiring stereochemical precision.

Application

tert-Butyl (R)-3-(4-chlorophenyl)piperazine-1-carboxylate serves as a stereochemically defined building block for the synthesis of piperazine-based pharmaceutical intermediates. The tert-butyl carbamate group provides excellent stability and ease of removal under mild acidic conditions, enabling straightforward deprotection. It functions as a versatile scaffold in medicinal chemistry, facilitating access to bioactive molecules through standard coupling reactions and functionalization at the piperazine nitrogen. Its robustness and compatibility with diverse reaction conditions make it well-suited for both small-scale exploratory synthesis and process development.

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+P364-P405-P501

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Computational Chemistry Data

TPSA 41.57
LogP 3.2214
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Skeleton Aliphatic heterocycle compounds Piperazine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

Key Words

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tert-Butyl (R)-3-(4-chlorophenyl)piperazine-1-carboxylate

CAS No. 1228556-99-7

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