1-Boc-4-fluoro-4-piperidinecarboxylic acid

Name: 1-Boc-4-fluoro-4-piperidinecarboxylic acid
Brand: ChemScene
Availability: InStock
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CAS No. 614731-04-3
Cat. No. CS-W001605
Purity≥97%
MDL No.MFCD08062530

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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-Boc-4-fluoro-4-piperidinecarboxylic acid|CS-W001605

Structure of 614731-04-3

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General Information

CAS No. 614731-04-3
Cat. No. CS-W001605
Purity ≥97%
MDL No. MFCD08062530
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₈FNO₄
Molecular Weight 247.26
Synonym(s) 4-Fluoropiperidine-4-carboxylic acid, N-Boc protected
SMILES O=C(N1CCC(CC1)(F)C(=O)O)OC(C)(C)C

Description

1-Boc-4-fluoro-4-piperidinecarboxylic acid features a bench-stable Boc-protected piperidine scaffold bearing a fluorine atom at the 4-position, enabling direct incorporation into diverse synthetic sequences. The electron-withdrawing fluorine enhances metabolic stability and modulates basicity, while the protected carboxylic acid facilitates selective derivatization under standard conditions.

Application

1-Boc-4-fluoro-4-piperidinecarboxylic acid serves as a versatile building block for constructing fluorinated piperidine scaffolds prevalent in medicinal chemistry. The Boc group ensures stability and ease of handling, while the pendant carboxylic acid enables straightforward derivatization via amide coupling or reduction. Its fluorine substituent imparts favorable metabolic stability and modulates electronic properties, making it ideal for optimizing bioactive molecules in drug discovery workflows.

Synthesis

Route1
- 1048994-21-3
- ~%
- In-stock
  
  614731-04-3
References
- WO2008/98978 A2, ; Page/Page column 32-33 ; WO 2008/098978 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 66.84
LogP 1.8102
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aliphatic heterocycle compounds Piperidine compounds

Key Words

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1-Boc-4-fluoro-4-piperidinecarboxylic acid

CAS No. 614731-04-3

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