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

Name: tert-Butyl (3S,5S)-3,5-dimethylpiperazine-1-carboxylate
Brand: ChemScene
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CAS No. 888327-50-2
Cat. No. CS-0048525
Purity≥96%
MDL No.MFCD08686694

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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,5S)-3,5-dimethylpiperazine-1-carboxylate|CS-0048525

Structure of 888327-50-2

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General Information

CAS No. 888327-50-2
Cat. No. CS-0048525
Purity ≥96%
MDL No. MFCD08686694
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₂₂N₂O₂
Molecular Weight 214.30
Synonym(s) (3S,5S)-tert-Butyl 3,5-dimethylpiperazine-1-carboxylate
SMILES C[C@H]1CN(C[C@H](C)N1)C(=O)OC(C)(C)C

Description

tert-Butyl (3S,5S)-3,5-dimethylpiperazine-1-carboxylate is a stereochemically defined piperazine derivative featuring a bench-stable tert-butyl ester protecting group. The (3S,5S) configuration imparts defined spatial orientation, enabling precise incorporation into complex molecular architectures. This compound serves as a key chiral building block in medicinal chemistry and peptide synthesis, where its steric bulk and solubility profile streamline downstream functionalization.

Application

tert-Butyl (3S,5S)-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 provides steric control and enhances metabolic stability, making it well-suited for use in API synthesis and fragment-based drug discovery workflows.

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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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 (3S,5S)-3,5-dimethylpiperazine-1-carboxylate

CAS No. 888327-50-2

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