1-Benzyl 4-ethyl piperidine-1,4-dicarboxylate

Name: 1-Benzyl 4-ethyl piperidine-1,4-dicarboxylate
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 160809-38-1
Cat. No. CS-0120594
Purity≥95%
MDL No.MFCD06204513

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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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1-Benzyl 4-ethyl piperidine-1,4-dicarboxylate|CS-0120594

Structure of 160809-38-1

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General Information

CAS No. 160809-38-1
Cat. No. CS-0120594
Purity ≥95%
MDL No. MFCD06204513
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₆H₂₁NO₄
Molecular Weight 291.34
Synonym(s) Ethyl 1-Cbz-Piperidine-4-Carboxylate
SMILES O=C(C1CCN(C(OCC2=CC=CC=C2)=O)CC1)OCC

Description

1-Benzyl 4-ethyl piperidine-1,4-dicarboxylate features a rigid piperidine core with orthogonal ester handles, enabling selective functionalization in medicinal chemistry. The benzyl group enhances solubility and stability, while the ethyl substituent provides optimal steric profile for downstream derivatization. This scaffold integrates readily into complex heterocyclic architectures under standard conditions.

Application

1-Benzyl 4-ethyl piperidine-1,4-dicarboxylate serves as a versatile diester building block in synthetic organic chemistry, enabling the construction of substituted piperidine scaffolds prevalent in medicinal chemistry. Its bench-stable nature and orthogonal functional group tolerance facilitate downstream transformations, including selective reduction, hydrolysis, and cyclization reactions. The molecule functions effectively in multi-step syntheses for heterocyclic intermediates and API precursors.

Synthesis

Route1
- In-stock
  
  1126-09-6
- 501-53-1
- ~95%
- In-stock
  
  160809-38-1
References
- MERCK SHARP and DOHME LIMITED Patent: WO2004/78750 A1, 2004 ; Location in patent: Page 64 ; WO 2004/078750 A1
Route2
- In-stock
  
  10314-98-4
- 75-03-6
- ~%
- In-stock
  
  160809-38-1
References
- EP1553074 A1, ; Page/Page column 47-48 ;
Route3
- In-stock
  
  1126-09-6
- In-stock
  
  13139-17-8
- ~99%
- In-stock
  
  160809-38-1
References
- Patel, Sunil; Waykole, Liladhar; Repic, Oljan; Chen, Kau-Ming Synthetic Communications, 1996 , vol. 26, # 24 p. 4699 - 4710

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 55.84
LogP 2.5983
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 4

Other Classifications

Building Blocks Skeleton Aliphatic heterocycle compounds Piperidine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

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1-Benzyl 4-ethyl piperidine-1,4-dicarboxylate

CAS No. 160809-38-1

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