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2,2,2-trifluoroethyl N-(3-ethynylphenyl)carbamate

CAS 1087798-02-4Formula C11H8F3NO2MW 243.18PubChem 39871437

This compound is a trifluoroethyl carbamate derivative featuring an ethynylphenyl group. It is primarily used as a functionalized intermediate in organic synthesis, particularly in the development of novel chemical entities for research purposes.

Loading RDKit molecule structure...
InChIKey: JMWNSFNIRMWYBJ-UHFFFAOYSA-NC11H8F3NO2 | MW 243.18

Chemical Identity

Molecular Formula

C11H8F3NO2

Molecular Weight

243.18 g/mol

Exact Mass

243.050713

PubChem CID

39871437

SMILES String

C#Cc1cccc(NC(=O)OCC(F)(F)F)c1

Names & Synonyms

2,2,2-trifluoroethyl 3-ethynylphenylcarbamateG392852,2,2-Trifluoroethyl (3-ethynylphenyl)carbamate2,2,2-trifluoroethylN-(3-ethynylphenyl)carbamate
External Identifiers
DTXSID301233982MTB79802CS-0263581EN300-88278

Catalog Overview

2,2,2-Trifluoroethyl N-(3-ethynylphenyl)carbamate, identified by CAS 1087798-02-4, is an organic compound characterized by a trifluoroethyl carbamate moiety attached to a 3-ethynylphenyl group. Its molecular formula is C11H8F3NO2 and it has a molecular weight of 243. 18 g/mol. This chemical serves as a versatile building block in synthetic chemistry, leveraging both the carbamate and ethynyl functionalities.

Use Context

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

2,2,2-Trifluoroethyl N-(3-ethynylphenyl)carbamate, identified by CAS 1087798-02-4, is an organic compound characterized by a trifluoroethyl carbamate moiety attached to a 3-ethynylphenyl group. Its molecular formula is C11H8F3NO2 and it has a molecular weight of 243.18 g/mol. This chemical serves as a versatile building block in synthetic chemistry, leveraging both the carbamate and ethynyl functionalities. The trifluoroethyl group can influence properties such as lipophilicity and metabolic stability, while the ethynyl group provides a reactive handle for various click chemistry reactions, Sonogashira couplings, and other alkyne-based transformations. It is valuable for researchers synthesizing complex molecules, including potential pharmaceutical intermediates or materials science compounds.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

white to off-white solid

Physical State

solid

Melting Point

95.0 °C

Boiling Point

305.0 °C

Density

1.17 g/cm³

Water Solubility

2.69 × 10⁻⁴ mol/L

Flash Point

106.9 °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 2,2,2-trifluoroethyl N-(3-ethynylphenyl)carbamate in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including safety goggles, gloves, and a lab coat, to prevent skin and eye contact. Avoid inhalation of dust or vapors. In case of contact, rinse thoroughly with water. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for comprehensive safety information before use.

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