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2-Amino-3,3,3-trifluoro-2-(3-fluorophenyl)propanoic acid

CAS 1341562-07-9Formula C9H7F4NO2MW 237.15PubChem 64137115

This compound is a fluorinated amino acid derivative, specifically 2-amino-3,3,3-trifluoro-2-(3-fluorophenyl)propanoic acid. Classified as a functionalized intermediate, it is valuable in synthetic organic chemistry for introducing both amino and trifluoromethyl groups into target molecules. Its unique structure suggests potential utility in medicinal chemistry and agrochemical research as a building block.

Loading RDKit molecule structure...
InChIKey: NUXDDYNJOVNZHY-UHFFFAOYSA-NC9H7F4NO2 | MW 237.15

Chemical Identity

Molecular Formula

C9H7F4NO2

Molecular Weight

237.15 g/mol

Exact Mass

237.041291

PubChem CID

64137115

SMILES String

NC(C(=O)O)(c1cccc(F)c1)C(F)(F)F

Names & Synonyms

2-amino-3,3,3-trifluoro-2-(3-fluorophenyl)propanoicacid
External Identifiers
RDC56207AKOS013454998EN300-123528

Catalog Overview

2-Amino-3,3,3-trifluoro-2-(3-fluorophenyl)propanoic acid, identified by CAS 1341562-07-9, is a chiral, non-proteinogenic amino acid derivative featuring a trifluoromethyl group and a fluorine atom on the phenyl ring. With a molecular formula of C9H7F4NO2 and a molecular weight of 237. 15, this compound serves as a versatile functionalized intermediate. The presence of both an amino group and a carboxylic acid group, alongside the electron-withdrawing trifluoromethyl and fluoro substituents, provides diverse reactivity for further chemical transformations.

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Read more catalog context

2-Amino-3,3,3-trifluoro-2-(3-fluorophenyl)propanoic acid, identified by CAS 1341562-07-9, is a chiral, non-proteinogenic amino acid derivative featuring a trifluoromethyl group and a fluorine atom on the phenyl ring. With a molecular formula of C9H7F4NO2 and a molecular weight of 237.15, this compound serves as a versatile functionalized intermediate. The presence of both an amino group and a carboxylic acid group, alongside the electron-withdrawing trifluoromethyl and fluoro substituents, provides diverse reactivity for further chemical transformations. It is particularly relevant in the synthesis of complex molecules where the incorporation of fluorine atoms is desired to modulate physicochemical properties, such as metabolic stability, lipophilicity, and binding affinity, in potential drug candidates or agrochemicals. Researchers may explore its use in peptide chemistry, asymmetric synthesis, or as a scaffold for novel compound libraries.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white solid

Physical State

Solid

Melting Point

180.0 °C

Boiling Point

350.0 °C

Density

1.4 g/cm³

Water Solubility

Slightly soluble

Flash Point

220.0 °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 with appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Use in a well-ventilated area or under a fume hood to avoid inhalation. Avoid contact with skin and eyes. In case of contact, rinse immediately with plenty of water. Refer to the Safety Data Sheet (SDS) for comprehensive safety information and emergency procedures. Store in a cool, dry place, away from incompatible materials.

Related Products / Graph Discovery

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