Chemical Identity
Molecular Formula
C10H14F3NO2
Molecular Weight
237.22 g/mol
Exact Mass
237.097663
PubChem CID
88945856
SMILES String
C#CC(CC(F)(F)F)NC(=O)OC(C)(C)C
Names & Synonyms
External Identifiers
Catalog Overview
tert-butyl N-(5,5,5-trifluoropent-1-yn-3-yl)carbamate, with CAS 1301229-61-7 and molecular formula C10H14F3NO2, is a synthetic organic compound classified as a functionalized intermediate. It incorporates a terminal alkyne, a trifluoromethyl group, and a tert-butyl carbamate (Boc) protecting group on a nitrogen atom. The trifluoromethyl group is known to impart unique physicochemical properties, such as increased lipophilicity and metabolic stability, to molecules. The terminal alkyne provides a versatile handle for various click chemistry reactions (e.
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Read more catalog context
tert-butyl N-(5,5,5-trifluoropent-1-yn-3-yl)carbamate, with CAS 1301229-61-7 and molecular formula C10H14F3NO2, is a synthetic organic compound classified as a functionalized intermediate. It incorporates a terminal alkyne, a trifluoromethyl group, and a tert-butyl carbamate (Boc) protecting group on a nitrogen atom. The trifluoromethyl group is known to impart unique physicochemical properties, such as increased lipophilicity and metabolic stability, to molecules. The terminal alkyne provides a versatile handle for various click chemistry reactions (e.g., copper-catalyzed azide-alkyne cycloaddition) or other alkyne-based transformations. The Boc group serves as a common protecting group for amines, which can be selectively removed under acidic conditions to reveal a primary amine. This combination of functionalities makes it a useful building block for the synthesis of complex organic molecules, particularly in drug discovery and development, as well as in the creation of novel materials.
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-(5,5,5-trifluoropent-1-yn-3-yl)carbamate in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including safety goggles, gloves, and a lab coat. Avoid inhalation, ingestion, and skin contact. Refer to the Safety Data Sheet (SDS) for detailed hazard information and safe handling procedures. Store in a cool, dry place, away from incompatible materials.
Related Products / Graph Discovery
Related products, derivatives, keywords, and application cues for catalog discovery.
Related CAS / Similar Products
Similar products (text references)
Recommended application cues
Catalog discovery cues, not supplier-verified claims.
Related HS Code / Compliance
Compliance cues are non-linked reference tags and require shipment review.