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benzyl (2S)-2-amino-2-[3-(trifluoromethyl)bicyclo[1.1.1]pentan-1-yl]acetate

CAS 1993286-79-5Formula C15H16F3NO2MW 299.29PubChem 121604962

This is a chiral amino acid derivative featuring a benzyl ester and a trifluoromethyl-substituted bicyclo[1.1.1]pentane moiety. It is primarily intended for research and development in synthetic organic chemistry and medicinal chemistry, serving as a building block for more complex molecules.

Loading RDKit molecule structure...
InChIKey: ABJLVYBEEDJSKD-LMWSTFAQSA-NC15H16F3NO2 | MW 299.29

Chemical Identity

Molecular Formula

C15H16F3NO2

Molecular Weight

299.29 g/mol

Exact Mass

299.113313

PubChem CID

121604962

IUPAC Name

benzyl (2S)-2-amino-2-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]acetate

SMILES String

N[C@H](C(=O)OCc1ccccc1)C12CC(C(F)(F)F)(C1)C2

Names & Synonyms

benzyl(2S)-2-amino-2-[3-(trifluoromethyl)bicyclo[1.1.1]pentan-1-yl]acetate
External Identifiers
AKOS026740401

Catalog Overview

Benzyl (2S)-2-amino-2-[3-(trifluoromethyl)bicyclo[1. 1. 1]pentan-1-yl]acetate is a specialized chiral building block for research applications. It incorporates a unique bicyclo[1.

Use Context

  • Research chemical sourcing
  • Custom synthesis and catalog availability review
  • COA, SDS, pricing, and fulfillment workflow
Read more catalog context

Benzyl (2S)-2-amino-2-[3-(trifluoromethyl)bicyclo[1.1.1]pentan-1-yl]acetate is a specialized chiral building block for research applications. It incorporates a unique bicyclo[1.1.1]pentane (BCP) scaffold, known for its rigid, three-dimensional structure and potential as a bioisostere in drug discovery. The trifluoromethyl group enhances lipophilicity and metabolic stability, while the benzyl ester and free amino group provide versatile handles for further chemical modifications, such as peptide coupling, amide formation, or deprotection to yield the corresponding carboxylic acid. This compound is valuable in the synthesis of novel pharmaceutical candidates and advanced materials for research and development.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

white crystalline solid

Physical State

solid

Melting Point

120.0 °C

Boiling Point

350.0 °C

Density

1.3 g/cm³

Water Solubility

slightly soluble

Flash Point

194.2 °C

Applications / Classifications

Research intermediateCustom synthesis building block

Biological Target Reference

No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.

Preliminary Safety-Style Reference

Preliminary

Preliminary safety-style information for reference only. Not a supplier SDS.

Handling and Storage
  • Handle with appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Use in a well-ventilated area or under a fume hood to avoid inhalation. Avoid contact with skin and eyes. In case of contact, rinse immediately with plenty of water. Refer to the Safety Data Sheet (SDS) for comprehensive safety information and emergency procedures. Store in a cool, dry place, tightly sealed.

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