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Methyl 2-amino-2-(trifluoromethyl)but-3-ynoate

CAS 1262414-79-8Formula C6H6F3NO2MW 181.11PubChem 57362543

Methyl 2-amino-2-(trifluoromethyl)but-3-ynoate is a trifluoromethylated amino acid derivative featuring an alkyne and an ester group, making it a versatile building block for synthetic organic chemistry research.

Loading RDKit molecule structure...
InChIKey: PASRXXSJNAMYHP-UHFFFAOYSA-NC6H6F3NO2 | MW 181.11

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

METHYL2-AMINO-2-(TRIFLUOROMETHYL)BUT-3-YNOATE
External Identifiers
MFCD07779900MAC41479AKOS025211817CS-0223927EN300-117074

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

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  • 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

Estimated

Estimated / 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

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 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

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