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
External Identifiers
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
EstimatedEstimated / 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
Biological Target Reference
No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.
Preliminary Safety-Style Reference
PreliminaryPreliminary 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.
Related products and analog discovery will be available as catalog graph data is expanded.