Ethyl 2-oxopiperidine-3-carboxylate

Name: Ethyl 2-oxopiperidine-3-carboxylate
Brand: ChemScene
Availability: InStock
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CAS No. 3731-16-6
Cat. No. CS-W001549
Purity≥98%
MDL No.MFCD00006038

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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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Ethyl 2-oxopiperidine-3-carboxylate|CS-W001549

Structure of 3731-16-6

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General Information

CAS No. 3731-16-6
Cat. No. CS-W001549
Purity ≥98%
MDL No. MFCD00006038
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₁₃NO₃
Molecular Weight 171.19
Synonym(s) Ethyl 2-Piperidone-3-carboxylate
SMILES O=C(C1C(NCCC1)=O)OCC

Application

Ethyl 2-oxopiperidine-3-carboxylate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to piperidine-containing scaffolds. Its α-keto ester functionality supports diverse transformations including nucleophilic additions, reductive aminations, and cyclizations. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for use in medicinal chemistry campaigns and the construction of biologically relevant heterocyclic frameworks.

Synthesis

Route1
- In-stock
  
  17216-62-5
- ~86%
- In-stock
  
  3731-16-6
References
- Michael, Joseph P.; De Koning, Charles B.; Van der Westhuyzen, Christiaan W.; Fernandes, Manuel A. Journal of the Chemical Society. Perkin Transactions 1, 2001 , # 17 p. 2055 - 2062
Route2
- 105-53-3
- ~%
- In-stock
  
  3731-16-6
References
- Michael, Joseph P.; De Koning, Charles B.; Van der Westhuyzen, Christiaan W.; Fernandes, Manuel A. Journal of the Chemical Society. Perkin Transactions 1, 2001 , # 17 p. 2055 - 2062

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 55.4
LogP 0.0757
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aliphatic heterocycle compounds Piperidine compounds

Chemical Biology Peptide Chemistry Unnatural Amino Acid Derivatives

Chemical Biology Pharmaceutical Development and Drug Discovery Research Reagents Peptide Chemistry Unnatural Amino Acid Derivatives

Chemical Biology Pharmaceutical Development and Drug Discovery Research Peptide Chemistry Amino Acid Derivatives

Chemical Biology Pharmaceutical Development and Drug Discovery Research Peptide Chemistry Unnatural Amino Acid Derivatives

Biochemistry Biochemicals and Reagents Amino Acids C-ProtectedAmino Acids

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Ethyl 2-oxopiperidine-3-carboxylate

CAS No. 3731-16-6

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