Chemical Identity
Molecular Formula
C6H6F3NO2
Molecular Weight
181.11 g/mol
Exact Mass
181.035063
PubChem CID
57362543
SMILES String
C#CC(N)(C(=O)OC)C(F)(F)F
Names & Synonyms
External Identifiers
Catalog Overview
Methyl 2-amino-2-(trifluoromethyl)but-3-ynoate, with CAS 1262414-79-8, is an organic compound characterized by its unique combination of a trifluoromethyl group, an amino group, an ester functionality, and a terminal alkyne. This polyfunctional structure positions it as a valuable intermediate in the synthesis of complex molecules, particularly in medicinal chemistry and agrochemical research, where the incorporation of trifluoromethyl groups and diverse functionalities is often desired. Its alkyne moiety allows for click chemistry reactions and other alkyne-based transformations, while the amino and ester groups provide...
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Read more catalog context
Methyl 2-amino-2-(trifluoromethyl)but-3-ynoate, with CAS 1262414-79-8, is an organic compound characterized by its unique combination of a trifluoromethyl group, an amino group, an ester functionality, and a terminal alkyne. This polyfunctional structure positions it as a valuable intermediate in the synthesis of complex molecules, particularly in medicinal chemistry and agrochemical research, where the incorporation of trifluoromethyl groups and diverse functionalities is often desired. Its alkyne moiety allows for click chemistry reactions and other alkyne-based transformations, while the amino and ester groups provide additional handles for further derivatization.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
white solid
Physical State
solid
Melting Point
75.0 °C
Boiling Point
205.0 °C
Density
1.3 g/cm³
Water Solubility
slightly soluble
Flash Point
95.0 °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 Methyl 2-amino-2-(trifluoromethyl)but-3-ynoate in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Avoid inhalation of dust or vapors, and prevent skin and eye contact. 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 detailed safety information before use.
Related Products / Graph Discovery
Related products, derivatives, keywords, and application cues for catalog discovery.
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.