tert-Butyl 4-(2-chloroethyl)piperazine-1-carboxylate

Name: tert-Butyl 4-(2-chloroethyl)piperazine-1-carboxylate
Brand: ChemScene
Availability: InStock
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CAS No. 208167-83-3
Cat. No. CS-W004998
Purity≥98%
MDL No.MFCD08443993

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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 4-(2-chloroethyl)piperazine-1-carboxylate|CS-W004998

Structure of 208167-83-3

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General Information

CAS No. 208167-83-3
Cat. No. CS-W004998
Purity ≥98%
MDL No. MFCD08443993
Storage -20°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₂₁ClN₂O₂
Molecular Weight 248.75
Synonym(s) None
SMILES O=C(OC(C)(C)C)N1CCN(CCCl)CC1

Description

tert-Butyl 4-(2-chloroethyl)piperazine-1-carboxylate features a reactive chloroethyl handle tethered to a piperazine scaffold, enabling site-specific alkylation in synthetic workflows. The tert-butyl ester offers protection under standard conditions while facilitating straightforward deprotection. This bifunctional intermediate integrates seamlessly into complex molecule assembly.

Application

tert-Butyl 4-(2-chloroethyl)piperazine-1-carboxylate serves as a versatile building block in medicinal chemistry, enabling efficient introduction of piperazine scaffolds with orthogonal functionalization. The chloroethyl side chain facilitates nucleophilic substitution reactions, allowing rapid diversification through coupling with amines, thiols, or other nucleophiles. The tert-butyl ester group offers bench stability and convenient deprotection under mild acidic conditions, supporting streamlined synthesis of target molecules. Its compatibility with standard reaction protocols makes it well-suited for high-throughput screening and lead optimization workflows.

Synthesis

Route1
- In-stock
  
  77279-24-4
- ~51%
- In-stock
  
  208167-83-3
References
- BOEHRINGER INGELHEIM INTERNATIONAL GMBH; BOEHRINGER INGELHEIM PHARMA GMBH and CO. KG Patent: WO2006/107923 A1, 2006 ; Location in patent: Page/Page column 65-66 ;

Safety Information

Download SDS

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 32.78
LogP 1.7779
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Skeleton Aliphatic heterocycle compounds Piperazine compounds

Key Words

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tert-Butyl 4-(2-chloroethyl)piperazine-1-carboxylate

CAS No. 208167-83-3

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