Benzyl 4-(methylamino)piperidine-1-carboxylate

Name: Benzyl 4-(methylamino)piperidine-1-carboxylate
Brand: ChemScene
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CAS No. 405057-75-2
Cat. No. CS-0069684
Purity≥97%
MDL No.MFCD07772081

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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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Benzyl 4-(methylamino)piperidine-1-carboxylate|CS-0069684

Structure of 405057-75-2

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General Information

CAS No. 405057-75-2
Cat. No. CS-0069684
Purity ≥97%
MDL No. MFCD07772081
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₄H₂₀N₂O₂
Molecular Weight 248.32
Synonym(s) 4-METHYLAMINO-PIPERIDINE-1-CARBOXYLIC ACID BENZYL ESTER
SMILES O=C(N1CCC(NC)CC1)OCC2=CC=CC=C2

Description

Benzyl 4-(methylamino)piperidine-1-carboxylate features a piperidine core with a methylamino substituent and a benzyl ester handle, enabling straightforward deprotection to yield the free amine. This derivative offers enhanced solubility and stability during synthetic sequences, facilitating efficient incorporation into bioactive molecules.

Application

Benzyl 4-(methylamino)piperidine-1-carboxylate serves as a versatile building block in medicinal chemistry, enabling efficient access to piperidine-based pharmacophores. The benzyl ester facilitates straightforward deprotection under mild hydrogenolysis conditions, while the methylamino group provides a handle for further functionalization. Its stability and compatibility with diverse reaction conditions make it well-suited for iterative synthesis and late-stage modifications in API development.

Synthesis

Route1
- 19099-93-5
- 593-51-1
- ~99%
- In-stock
  
  405057-75-2
References
- WO2009/76387 A1, ; Page/Page column 40 ; WO 2009/076387 A1
Route2
- 19099-93-5
- 74-89-5
- ~%
- In-stock
  
  405057-75-2
References
- WO2005/30209 A1, ; Page/Page column 58 ; WO 2005/030209 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 41.57
LogP 2.007
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 3

Other Classifications

Building Blocks Skeleton Aliphatic heterocycle compounds Piperidine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Benzyl 4-(methylamino)piperidine-1-carboxylate

CAS No. 405057-75-2

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