tert-Butyl 4-(4-aminophenyl)-1-piperidinecarboxylate

Name: tert-Butyl 4-(4-aminophenyl)-1-piperidinecarboxylate
Brand: ChemScene
Availability: InStock
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CAS No. 170011-57-1
Cat. No. CS-D0188
Purity≥98%
MDL No.MFCD05861405

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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+
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tert-Butyl 4-(4-aminophenyl)-1-piperidinecarboxylate|CS-D0188

Structure of 170011-57-1

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General Information

CAS No. 170011-57-1
Cat. No. CS-D0188
Purity ≥98%
MDL No. MFCD05861405
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₆H₂₄N₂O₂
Molecular Weight 276.37
Synonym(s) Tert-butyl 4-(4-aminophenyl)piperidine-1-carboxylate
SMILES O=C(N1CCC(C2=CC=C(N)C=C2)CC1)OC(C)(C)C

Description

tert-Butyl 4-(4-aminophenyl)-1-piperidinecarboxylate features a piperidine core functionalized with a para-aminophenyl group and a tert-butyl ester, enabling straightforward deprotection to access the free amine. This compound integrates readily into medicinal chemistry campaigns targeting CNS agents and kinase inhibitors due to its favorable solubility and stability under standard conditions.

Application

tert-Butyl 4-(4-aminophenyl)-1-piperidinecarboxylate serves as a versatile building block for medicinal chemistry, enabling efficient access to bioactive piperidine derivatives. The protected amine and aromatic amine functionalities offer orthogonal reactivity, facilitating sequential modifications. It functions as a key intermediate in the synthesis of kinase inhibitors and CNS-targeted compounds, with excellent bench stability and straightforward purification via standard chromatographic methods.

Synthesis

Route1
- 873454-43-4
- ~99%
- In-stock
  
  170011-57-1
References
- Illig, Carl R.; Ballentine, Shelley K.; Chen, Jinsheng; Meegalla, Sanath K.; Rudolph, M. Jonathan; Wall, Mark J.; Wilson, Kenneth J.; Desjarlais, Renee L.; Manthey, Carl L.; Molloy, Christopher J. Patent: US2008/51402 A1, 2008 ; Location in patent: Page/Page column 41 ; US 20080051402 A1
Route2
- 387827-33-0
- ~86%
- In-stock
  
  170011-57-1
References
- CANCER THERAPEUTICS CRC PTY LTD; DEVLIN, Mark Graeme; STREET, Ian Philip; TONG, Warwick Bonner Patent: WO2014/27199 A1, 2014 ; Location in patent: Page/Page column 85-86 ;
Route3
- 873454-39-8
- ~82%
- In-stock
  
  170011-57-1
References
- Sankyo Company, Limited Patent: EP1764360 A1, 2007 ; Location in patent: Page/Page column 87; 165 ; EP 1764360 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

Quality Control

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Computational Chemistry Data

TPSA 55.56
LogP 3.3833
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aliphatic heterocycle compounds Piperidine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

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tert-Butyl 4-(4-aminophenyl)-1-piperidinecarboxylate

CAS No. 170011-57-1

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