1,1-Dimethylethyl 3,3-dimethyl-4-oxo-1-piperidinecarboxylate

Name: 1,1-Dimethylethyl 3,3-dimethyl-4-oxo-1-piperidinecarboxylate
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 324769-06-4
Cat. No. CS-B1307
Purity≥97%
MDL No.MFCD09880282

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Type	HazMat Fee
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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1,1-Dimethylethyl 3,3-dimethyl-4-oxo-1-piperidinecarboxylate|CS-B1307

Structure of 324769-06-4

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General Information

CAS No. 324769-06-4
Cat. No. CS-B1307
Purity ≥97%
MDL No. MFCD09880282
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₂₁NO₃
Molecular Weight 227.30
Synonym(s) 1-(tert-Butoxycarbonyl)-3,3-dimethyl-4-oxopiperidine; 1-tert-Butoxycarbonyl-3,3-dimethyl-4-piperidone; 1-tert-Butyloxycarbonyl-3,3-dimethyl-4-piperidone; Tert-butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate
SMILES O=C(N1CC(C)(C)C(CC1)=O)OC(C)(C)C

Description

This piperidine derivative features a sterically hindered tert-butyl ester and a ketone-functionalized ring, enabling stable incorporation into complex molecular architectures. The electron-deficient carbonyl group facilitates selective transformations in synthetic sequences.

Application

1,1-Dimethylethyl 3,3-dimethyl-4-oxo-1-piperidinecarboxylate serves as a stable, bench-ready piperidinone building block for medicinal chemistry and process development. The tert-butyl ester group enables facile deprotection under mild acidic conditions, while the 4-oxo functionality supports nucleophilic addition and reductive amination reactions. Its sterically shielded 3,3-dimethyl substitution enhances metabolic stability and reduces undesired side reactions, making it ideal for constructing complex heterocyclic scaffolds in API synthesis.

Synthesis

Route1
- In-stock
  
  24424-99-5
- In-stock
  
  173186-91-9
- ~87%
- In-stock
  
  324769-06-4
References
- ELI LILLY AND COMPANY Patent: EP1204660 B1, 2004 ; Location in patent: Page 18 ;
Route2
- 74-88-4
- ~74%
- In-stock
  
  324769-06-4
References
- SCHERING CORPORATION Patent: US2005/182095 A1, 2005 ; Location in patent: Page/Page column 64 ; US 20050182095 A1
Route3
- 79099-07-3
- 74-88-4
- ~72%
- In-stock
  
  324769-06-4
References
- ACTELION PHARMACEUTICALS LTD Patent: WO2005/40120 A1, 2005 ; Location in patent: Page/Page column 25 ; WO 2005/040120 A1

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

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Computational Chemistry Data

TPSA 46.61
LogP 2.2225
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Ketone

Building Blocks Skeleton Aliphatic heterocycle compounds Piperidine compounds

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1,1-Dimethylethyl 3,3-dimethyl-4-oxo-1-piperidinecarboxylate

CAS No. 324769-06-4

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