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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.

Related Products / Graph Discovery

Related products, derivatives, keywords, and application cues for catalog discovery.

Similar products (text references)

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Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 2924299090GHS Pictograms: GHS07Shipment review: Shipment details require review before fulfillment.

Compliance cues are non-linked reference tags and require shipment review.

Catalog navigation

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.