Description

3-[3,5-Bis(Trifluoromethyl)Phenyl]Prop-2-Yn-1-Ol is a high-value fluorinated aromatic building block featuring both a terminal alkyne and a hydroxyl group. This unique bifunctional structure makes it a critical intermediate for synthesizing advanced materials and active pharmaceutical ingredients (APIs) where the trifluoromethyl group imparts desirable properties like enhanced metabolic stability and lipophilicity. It is primarily sought after by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and specialty materials industries for constructing complex molecular architectures.

Application

• Pharmaceutical Intermediate: Key synthon for the development of novel drug candidates, particularly in kinase inhibitors and other small molecule therapeutics.
• Agrochemical Synthesis: Used in the research and production of advanced pesticides and herbicides, leveraging the bioactivity-enhancing trifluoromethyl groups.
• Ligand & Catalyst Development: Serves as a precursor for creating specialized phosphine or N-heterocyclic carbene (NHC) ligands in transition metal catalysis.
• Material Science Research: Building block for fluorinated polymers, liquid crystals, and organic electronic materials due to its rigid, aromatic core and functional handles.
• Click Chemistry: The terminal alkyne moiety enables efficient copper-catalyzed azide-alkyne cycloaddition (CuAAC) for bioconjugation and polymer functionalization.
• Cross-Coupling Reactions: Employed in Sonogashira, Heck, and other palladium-catalyzed cross-coupling reactions to introduce fluorinated aromatic segments.

Basic Information

Product Name	3-[3,5-Bis(Trifluoromethyl)Phenyl]Prop-2-Yn-1-Ol
CAS No.	81613-61-8
Molecular Formula	C12H6F6O
Molecular Weight	280.17 g/mol
Synonyms	3-[3,5-Bis(trifluoromethyl)phenyl]prop-2-yn-1-ol; 3,5-Bis(trifluoromethyl)phenyl propargyl alcohol; 2-Propyn-1-ol, 3-[3,5-bis(trifluoromethyl)phenyl]-; 3-(3,5-Bis(trifluoromethyl)phenyl)-2-propyn-1-ol; 1-(3,5-Bis(trifluoromethyl)phenyl)-2-propyn-1-ol; Propargyl alcohol, 3,5-bis(trifluoromethyl)-; α-(3,5-Bis(trifluoromethyl)phenyl)propargyl alcohol
EINECS	Contact for details

Quality Control

Our 3-[3,5-Bis(Trifluoromethyl)Phenyl]Prop-2-Yn-1-Ol is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and FTIR, to ensure identity, purity, and consistency. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all specifications and test results. Our quality commitment supports compliance with cGMP, ISO, and REACH standards for global supply.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at a controlled room temperature (15-25°C). The compound is moisture-sensitive (hygroscopic); keep the container tightly sealed under an inert atmosphere such as nitrogen or argon to prevent degradation. Keep away from strong oxidizers, acids, and bases.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.