tert-Butyl 4-benzoylpiperidine-1-carboxylate

Name: tert-Butyl 4-benzoylpiperidine-1-carboxylate
Brand: ChemScene
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CAS No. 193217-39-9
Cat. No. CS-0139737
Purity≥98%
MDL No.None

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tert-Butyl 4-benzoylpiperidine-1-carboxylate|CS-0139737

Structure of 193217-39-9

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General Information

CAS No. 193217-39-9
Cat. No. CS-0139737
Purity ≥98%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₇H₂₃NO₃
Molecular Weight 289.37
Synonym(s) TERT-BUTYL 4-BENZOYLPIPERIDINE
SMILES O=C(N1CCC(C(C2=CC=CC=C2)=O)CC1)OC(C)(C)C

Description

tert-Butyl 4-benzoylpiperidine-1-carboxylate features a benzoyl group attached to the piperidine nitrogen, delivering a robust, electron-deficient scaffold. This bench-stable derivative integrates seamlessly into synthetic routes requiring protected amine functionality and serves as a key intermediate in medicinal chemistry campaigns targeting CNS-active compounds.

Application

tert-Butyl 4-benzoylpiperidine-1-carboxylate serves as a versatile building block in medicinal chemistry, enabling efficient access to piperidine-based scaffolds. The benzoyl group provides robust protection and orthogonality in multi-step syntheses, while the tert-butyl carbamate facilitates selective deprotection under mild acidic conditions. Its stability and ease of purification support scalable synthesis and integration into complex molecular architectures.

Synthesis

Route1
- In-stock
  
  24424-99-5
- In-stock
  
  25519-80-6
- ~10%
- In-stock
  
  193217-39-9
References
- Astra Pharma Inc. Patent: US6130222 A1, 2000 ;
Route2
- 37586-22-4
- In-stock
  
  24424-99-5
- ~87%
- In-stock
  
  193217-39-9
References
- FAES FARMA, S.A.; LEDO GOMEZ, Francisco; MUNOZ MUNOZ, Ana; PUMAR DURAN, Carmen Patent: WO2011/147780 A1, 2011 ; Location in patent: Page/Page column 30 ;
Route3
- 100-59-4
- In-stock
  
  139290-70-3
- ~60%
- In-stock
  
  193217-39-9
References
- AMGEN INC. Patent: WO2009/75857 A2, 2009 ; Location in patent: Page/Page column 75-76 ; WO 2009/075857 A2

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 46.61
LogP 3.5164
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Ketone

Building Blocks Skeleton Aliphatic heterocycle compounds Piperidine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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tert-Butyl 4-benzoylpiperidine-1-carboxylate

CAS No. 193217-39-9

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