1-(3-Fluorobenzyl)-3-piperidinecarboxylic acid | CAS No. 896046-85-8

1-(3-Fluorobenzyl)-3-piperidinecarboxylic acid

Basic Information

CAS Number

896046-85-8

Molecular Formula

C13H16FNO2

Molecular Weight

237.27 g/mol

AD

Basic Physical Properties

Density

1.234

C1CC(CN(C1)CC2=CC(=CC=C2)F)C(=O)O

InChI

InChI=1S/C13H16FNO2/c14-12-5-1-3-10(7-12)8-15-6-2-4-11(9-15)13(16)17/h1,3,5,7,11H,2,4,6,8-9H2,(H,16,17)

InChIKey

VWUDHUJSDJLKJL-UHFFFAOYSA-N

LogP

2.1223

Topological Polar Surface Area

40.540000000000006 Ų

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

272

Synonyms & References

English

  • 1-(3-fluorobenzyl)piperidine-3-carboxylicacid
  • 1-(3-Fluoro-benzyl)-piperidine-3-carboxylic acid
  • FT-0766758
  • 1-[(3-fluorophenyl)methyl]piperidine-3-carboxylic Acid
  • AKOS000125278
  • 1-[(3-Fluorophenyl)methyl]-3-piperidinecarboxylic acid
  • 896046-85-8
  • 1-(3-fluorobenzyl)piperidine-3-carboxylic acid
  • AKOS022179848
  • DTXSID40405252
  • 1-(3-Fluorobenzyl)piperidine-3-carboxylic acid
  • 1-[(3-fluorophenyl)methyl]-3-Piperidinecarboxylic acid
  • 1-[(3-fluorophenyl)methyl]piperidine-3-carboxylic acid

MDL Number

MFCD05170990

FAQ

What are the physical and chemical properties of 1-(3-Fluorobenzyl)-3-piperidinecarboxylic acid (CAS: 896046-85-8)?

1-(3-Fluorobenzyl)-3-piperidinecarboxylic acid is a white to light yellow crystalline solid with a molecular weight of approximately 284.23 g/mol. It is slightly soluble in water but soluble in common organic solvents such as ethanol and acetone. The compound has a moderate reactivity, particularly with nucleophiles, and is stable under normal storage conditions but hydrolyzes slowly in basic media.

How is 1-(3-Fluorobenzyl)-3-piperidinecarboxylic acid (CAS: 896046-85-8) typically synthesized?

1-(3-Fluorobenzyl)-3-piperidinecarboxylic acid is typically synthesized through a multistep reaction starting with 3-fluorobenzyl chloride and piperidine. The key steps involve the formation of an acyl chloride followed by condensation with piperidine, with careful control of reaction conditions to ensure high yield and selectivity. Commonly used catalysts include phosphorous oxychloride or thionyl chloride.

What industries use 1-(3-Fluorobenzyl)-3-piperidinecarboxylic acid (CAS: 896046-85-8)?

1-(3-Fluorobenzyl)-3-piperidinecarboxylic acid is primarily used in the pharmaceutical industry for the synthesis of drug candidates, particularly in the development of analgesics and anti-inflammatory agents. It is also explored in the polymer industry for its potential use in the formulation of biomedical polymers and in the electronics sector for its suitability in semiconductor applications.

What precautions should be taken when handling 1-(3-Fluorobenzyl)-3-piperidinecarboxylic acid (CAS: 896046-85-8)?

When handling 1-(3-Fluorobenzyl)-3-piperidinecarboxylic acid, it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure to vapors. Spills should be immediately neutralized with an appropriate base and cleaned up with absorbent material. Always consult the safety data sheet (SDS) for detailed information on handling and disposal.

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