tert-Butyl (3R,5R)-3,5-dimethylpiperazine-1-carboxylate

Name: tert-Butyl (3R,5R)-3,5-dimethylpiperazine-1-carboxylate
Brand: ChemScene
Availability: InStock
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CAS No. 438049-91-3
Cat. No. CS-0048555
Purity≥95%
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+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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tert-Butyl (3R,5R)-3,5-dimethylpiperazine-1-carboxylate|CS-0048555

Structure of 438049-91-3

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General Information

CAS No. 438049-91-3
Cat. No. CS-0048555
Purity ≥95%
MDL No. None
Storage RT, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₂₂N₂O₂
Molecular Weight 214.30
Synonym(s) (3R,5R)-tert-Butyl 3,5-dimethylpiperazine-1-carboxylate
SMILES C[C@@H]1CN(C[C@@H](C)N1)C(=O)OC(C)(C)C

Description

This tert-butyl (3R,5R)-3,5-dimethylpiperazine-1-carboxylate features a stereochemically defined piperazine core with two methyl groups at the 3- and 5-positions, providing steric shielding and enhanced metabolic stability. The tert-butyl ester group enables straightforward deprotection under mild acidic conditions, facilitating integration into complex molecular architectures. This configuration imparts favorable solubility and handling characteristics for use in medicinal chemistry campaigns targeting CNS-penetrant molecules.

Application

tert-Butyl (3R,5R)-3,5-dimethylpiperazine-1-carboxylate serves as a stereochemically defined piperazine building block, enabling the efficient construction of complex heterocyclic scaffolds in medicinal chemistry. Its tert-butyl carbamate group offers excellent bench stability and facilitates straightforward deprotection under mild acidic conditions. The 3,5-dimethyl substitution pattern enhances conformational rigidity and provides favorable steric and electronic properties for target-directed synthesis.

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

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Computational Chemistry Data

TPSA 41.57
LogP 1.6037
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

Building Blocks Skeleton Aliphatic heterocycle compounds Piperazine compounds

Key Words

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tert-Butyl (3R,5R)-3,5-dimethylpiperazine-1-carboxylate

CAS No. 438049-91-3

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