Description

1,1,1-Trifluoro-2-Phenyl-3-Butyn-2-Ol is a high-value fluorinated building block and chiral synthon used in advanced organic synthesis. This compound matters for its unique trifluoromethyl and alkyne functionalities, which are critical for modulating the lipophilicity, metabolic stability, and binding affinity of target molecules. It is primarily needed by pharmaceutical and agrochemical R&D teams for the development of novel active ingredients, as well as by manufacturers of specialty materials and fine chemicals.

Application

• Pharmaceutical Intermediate: A key chiral precursor in the synthesis of complex drug candidates, particularly those targeting central nervous system (CNS) disorders and metabolic diseases.
• Agrochemical Synthesis: Used to incorporate the trifluoromethyl group into novel herbicides, fungicides, and insecticides to enhance their efficacy and environmental profile.
• Liquid Crystal & OLED Materials: Serves as a building block for fluorinated organic electronic materials, improving their charge transport and thermal stability.
• Advanced Polymer Chemistry: Employed in the creation of specialty fluoropolymers with unique surface properties and chemical resistance.
• Catalysis & Ligand Development: Acts as a precursor for novel chiral ligands and catalysts used in asymmetric synthesis.
• Fluorine-18 Radiochemistry: Potential use as a precursor for Positron Emission Tomography (PET) tracer development, leveraging its alkyne handle for click chemistry.

Basic Information

Product Name	1,1,1-Trifluoro-2-Phenyl-3-Butyn-2-Ol
CAS No.	99727-20-5
Molecular Formula	C10H7F3O
Molecular Weight	200.16 g/mol
Synonyms	1,1,1-Trifluoro-2-phenylbut-3-yn-2-ol; 2-Phenyl-1,1,1-trifluoro-3-butyn-2-ol; 3-Butyn-2-ol, 1,1,1-trifluoro-2-phenyl-; α-(Trifluoromethyl)-α-phenylpropargyl alcohol; (RS)-1,1,1-Trifluoro-2-phenylbut-3-yn-2-ol; TFPO; Trifluoromethylphenylpropargyl alcohol
EINECS	Contact for details

Quality Control

Our 1,1,1-Trifluoro-2-Phenyl-3-Butyn-2-Ol is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including chiral purity analysis, to ensure it meets the high standards required for advanced synthetic applications. A comprehensive Certificate of Analysis (COA) detailing purity, enantiomeric excess (if applicable), and impurity profiles is provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). Keep away from strong bases and incompatible materials. For long-term storage, consider storing under an inert atmosphere to maintain optimal purity.

Specification

Item	Specification
Appearance	White to off-white crystalline powder or solid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Chiral Purity (Chiral HPLC)	Contact for details (racemic or enantiopure grades available)
Melting Point	Contact for details
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.