Benzyl 3-fluoro-4-oxo-1-piperidinecarboxylate

Basic Information

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CAS Number

845256-59-9

Molecular Formula

C13H14FNO3

Molecular Weight

251.26 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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FC1CN(CCC1=O)C(=O)OCc2ccccc2

InChI

InChI=1S/C13H14FNO3/c14-11-8-15(7-6-12(11)16)13(17)18-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2

InChIKey

JECCYYOJLNSUHX-UHFFFAOYSA-N

LogP

1.9361000000000002

Topological Polar Surface Area

46.61 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Synonyms & References

English

Benzyl 3-fluoro-4-oxopiperidine-1-carboxylate
1- Piperidinecarboxylic acid, 3-fluoro-4-oxo-, phenylmethyl ester
1-Cbz-3-fluoro-4-oxo-piperidine
benzyl 3-fluoro-4-oxopiperidine-1-carboxylate

MDL Number

MFCD11976639

FAQ

What are the physical and chemical properties of Benzyl 3-fluoro-4-oxo-1-piperidinecarboxylate (CAS: 845256-59-9)?

Benzyl 3-fluoro-4-oxo-1-piperidinecarboxylate (CAS: 845256-59-9) is a crystalline solid with a molecular weight of approximately 265.26 g/mol. It has poor water solubility but good solubility in organic solvents such as ethanol and dichloromethane. The compound is relatively stable but may react with strong bases to form 3-fluoro-4-hydroxy-1-piperidinecarboxylic acid. It is not flammable but can release toxic fumes upon thermal decomposition.

How is Benzyl 3-fluoro-4-oxo-1-piperidinecarboxylate (CAS: 845256-59-9) typically synthesized?

Benzyl 3-fluoro-4-oxo-1-piperidinecarboxylate (CAS: 845256-59-9) can be synthesized via a multistep reaction involving the protection of a piperidine ring, introduction of a fluoro group, and subsequent deprotection. Commonly used catalysts and reagents include trifluoroacetic acid (TFA) and triflic anhydride. The reaction is selective and yields >90% of the desired product.

What industries use Benzyl 3-fluoro-4-oxo-1-piperidinecarboxylate (CAS: 845256-59-9)?

Benzyl 3-fluoro-4-oxo-1-piperidinecarboxylate (CAS: 845256-59-9) is primarily used in pharmaceuticals for the synthesis of various drug intermediates. It is also utilized in the development of polymers, sensors, and semiconductors due to its unique chemical properties.

What precautions should be taken when handling Benzyl 3-fluoro-4-oxo-1-piperidinecarboxylate (CAS: 845256-59-9)?

When handling Benzyl 3-fluoro-4-oxo-1-piperidinecarboxylate (CAS: 845256-59-9), wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Store the compound in a cool, dry place away from direct sunlight and sources of ignition. In case of spill, use a fume hood and follow standard spill procedures. Always consult the Safety Data Sheet (SDS) for detailed handling and storage information.