tert-Butyl 4-amino-3,3-difluoropiperidine-1-carboxylate

Name: tert-Butyl 4-amino-3,3-difluoropiperidine-1-carboxylate
Brand: ChemScene
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CAS No. 1255666-48-8
Cat. No. CS-W001365
Purity≥95%
MDL No.MFCD16250242

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Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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tert-Butyl 4-amino-3,3-difluoropiperidine-1-carboxylate|CS-W001365

Structure of 1255666-48-8

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General Information

CAS No. 1255666-48-8
Cat. No. CS-W001365
Purity ≥95%
MDL No. MFCD16250242
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₈F₂N₂O₂
Molecular Weight 236.26
Synonym(s) tert-butyl 4-amino-3,3-difluoropiperidin
SMILES O=C(N1CCC(C(C1)(F)F)N)OC(C)(C)C

Description

tert-Butyl 4-amino-3,3-difluoropiperidine-1-carboxylate features a sterically hindered piperidine core with dual fluorine atoms at the 3,3-position, enhancing metabolic stability and modulating electronic properties. The protected amine facilitates direct incorporation into complex scaffolds without side reactions, enabling streamlined synthesis of fluorinated bioactive molecules under standard conditions.

Application

tert-Butyl 4-amino-3,3-difluoropiperidine-1-carboxylate serves as a versatile building block in medicinal chemistry, enabling the construction of fluorinated piperidine scaffolds prevalent in bioactive molecules. The difluoromethylene group enhances metabolic stability and modulates electronic properties, while the tert-butyl carbamate provides orthogonal protection for amine functionalization. It exhibits excellent bench stability, facilitates straightforward deprotection under mild acidic conditions, and demonstrates compatibility with diverse coupling reactions, making it well-suited for iterative synthesis and high-throughput screening workflows.

Safety Information

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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

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Computational Chemistry Data

TPSA 55.56
LogP 1.5898
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Amine

Building Blocks Functional Group Fluoride

Building Blocks Skeleton Aliphatic heterocycle compounds Piperidine compounds

Key Words

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tert-Butyl 4-amino-3,3-difluoropiperidine-1-carboxylate

CAS No. 1255666-48-8

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