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tert-butyl N-(1,1,1-trifluoropent-4-yn-2-yl)carbamate

CAS 2703780-46-3Formula C10H14F3NO2MW 237.22PubChem 165946872

tert-butyl N-(1,1,1-trifluoropent-4-yn-2-yl)carbamate is a trifluoromethylated alkyne featuring a Boc-protected amine. This versatile research-use-only chemical serves as a key building block in organic synthesis, enabling the introduction of both trifluoromethyl and alkyne functionalities into target molecules.

Loading RDKit molecule structure...
InChIKey: UQFDIFGQCMOYCU-UHFFFAOYSA-NC10H14F3NO2 | MW 237.22

Chemical Identity

Molecular Formula

C10H14F3NO2

Molecular Weight

237.22 g/mol

Exact Mass

237.097663

PubChem CID

165946872

SMILES String

C#CCC(NC(=O)OC(C)(C)C)C(F)(F)F

Names & Synonyms

tert-Butyl (1,1,1-trifluoropent-4-yn-2-yl)carbamate
External Identifiers
EN300-33050999

Catalog Overview

tert-butyl N-(1,1,1-trifluoropent-4-yn-2-yl)carbamate, with CAS 2703780-46-3, is a sophisticated organic intermediate characterized by three distinct functional groups: a tert-butyl carbamate (Boc) protecting group, a highly electron-withdrawing trifluoromethyl group, and a terminal alkyne. This unique combination makes it a valuable reagent for advanced synthetic chemistry. The Boc group offers facile protection and deprotection of the amine, while the trifluoromethyl group can impart specific electronic and steric properties to molecules, often enhancing metabolic stability or lipophilicity in drug discovery. The terminal alkyne...

Use Context

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

tert-butyl N-(1,1,1-trifluoropent-4-yn-2-yl)carbamate, with CAS 2703780-46-3, is a sophisticated organic intermediate characterized by three distinct functional groups: a tert-butyl carbamate (Boc) protecting group, a highly electron-withdrawing trifluoromethyl group, and a terminal alkyne. This unique combination makes it a valuable reagent for advanced synthetic chemistry. The Boc group offers facile protection and deprotection of the amine, while the trifluoromethyl group can impart specific electronic and steric properties to molecules, often enhancing metabolic stability or lipophilicity in drug discovery. The terminal alkyne is a reactive handle for various transformations, including 'click chemistry' reactions (e.g., copper-catalyzed azide-alkyne cycloaddition) and other alkyne-based couplings, allowing for diverse molecular elaborations. This compound is intended for Research Use Only (RUO).

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

Colorless liquid

Physical State

Liquid

Melting Point

5.0 °C

Boiling Point

220.0 °C

Density

1.25 g/cm³

Water Solubility

Slightly soluble

Flash Point

100.0 °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 tert-butyl N-(1,1,1-trifluoropent-4-yn-2-yl)carbamate with appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Work in a well-ventilated area or fume hood to avoid inhalation of dust or vapors. Prevent skin and eye contact. Store in a cool, dry place, away from incompatible materials. Dispose of waste in accordance with local regulations for chemical waste.

Related Products / Graph Discovery

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

Similar products (text references)

2160148-10-5CAS 2160148-10-5
3063-94-3CAS 3063-94-3

Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 29241990GHS 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.