tert-Butyl 3,5-dimethyl-4-oxopiperidine-1-carboxylate

Name: tert-Butyl 3,5-dimethyl-4-oxopiperidine-1-carboxylate
Brand: ChemScene
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CAS No. 475085-34-8
Cat. No. CS-0079659
Purity≥97%
MDL No.None

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Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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tert-Butyl 3,5-dimethyl-4-oxopiperidine-1-carboxylate|CS-0079659

Structure of 475085-34-8

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General Information

CAS No. 475085-34-8
Cat. No. CS-0079659
Purity ≥97%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₂₁NO₃
Molecular Weight 227.30
Synonym(s) Piperidinecarboxylic acid, 3,
SMILES O=C(OC(C)(C)C)N1CC(C)C(C(C)C1)=O

Description

tert-Butyl 3,5-dimethyl-4-oxopiperidine-1-carboxylate features a sterically shielded piperidine core with two methyl groups flanking a ketone at the 4-position, enhancing stability and reducing side reactivity. The tert-butyl ester group enables straightforward deprotection under mild acidic conditions, facilitating access to the corresponding amine. This scaffold serves as a key building block in the synthesis of complex nitrogen-containing molecules, particularly in medicinal chemistry and natural product derivatization.

Application

tert-Butyl 3,5-dimethyl-4-oxopiperidine-1-carboxylate serves as a versatile building block in medicinal chemistry, enabling the synthesis of substituted piperidines via reductive amination or nucleophilic addition. The protected ketone functionality exhibits excellent bench stability and compatibility with diverse reaction conditions, facilitating downstream transformations including C–H functionalization and heterocycle construction. Its defined stereochemical environment supports controlled access to complex scaffolds relevant to drug discovery programs.

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 46.61
LogP 2.0784
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aliphatic heterocycle compounds Piperidine compounds

Key Words

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tert-Butyl 3,5-dimethyl-4-oxopiperidine-1-carboxylate

CAS No. 475085-34-8

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