Description

4-[2-[5,6-Dihydro-5,5-Dimethyl-8-[[(Trifluoromethyl)Sulfonyl]Oxy]-2-Naphthalenyl]Ethynyl]Benzoic Acid Ethyl Ester is a high-purity, advanced pharmaceutical intermediate characterized by its complex molecular architecture featuring a trifluoromethanesulfonate (triflate) ester group. This compound is of significant value in organic synthesis, particularly in cross-coupling reactions where the triflate moiety serves as an excellent leaving group, enabling the construction of complex molecules. It is primarily sought after by research institutions, pharmaceutical R&D laboratories, and fine chemical manufacturers engaged in the development of novel active pharmaceutical ingredients (APIs) and specialty materials.

Application

• Pharmaceutical Intermediate: A key building block in the synthesis of complex drug candidates, particularly in oncology and central nervous system (CNS) therapeutic areas.
• Cross-Coupling Reactions: The triflate group makes it an excellent substrate for Suzuki-Miyaura, Stille, and Negishi cross-coupling reactions to form new carbon-carbon bonds.
• Material Science Research: Used in the development of organic semiconductors, liquid crystals, and other advanced functional materials due to its conjugated ethynylbenzoate structure.
• Agrochemical Synthesis: Serves as a precursor in the research and development of new generation herbicides and pesticides.
• Chemical Biology Probes: Utilized in the design and synthesis of molecular probes for studying biological pathways and target engagement.

Basic Information

Product Name	4-[2-[5,6-Dihydro-5,5-Dimethyl-8-[[(Trifluoromethyl)Sulfonyl]Oxy]-2-Naphthalenyl]Ethynyl]Benzoic Acid Ethyl Ester
CAS No.	171568-44-8
Molecular Formula	C24H21F3O5S
Molecular Weight	478.48 g/mol
Synonyms	Ethyl 4-((5,5-dimethyl-8-(((trifluoromethyl)sulfonyl)oxy)-5,6-dihydronaphthalen-2-yl)ethynyl)benzoate; 8-Trifluoromethanesulfonyloxy-5,5-dimethyl-5,6-dihydronaphthalen-2-ylethynyl-benzoic Acid Ethyl Ester; 5,5-Dimethyl-8-triflyloxy-1,2,3,4-tetrahydronaphthalene-2-ethylnyl-benzoic Acid Ethyl Ester; Aryl Triflate Ester Intermediate; CAS 171568-44-8
EINECS	Contact for details

Quality Control

Our production of this advanced intermediate adheres to strict quality management systems. Every batch undergoes comprehensive analytical testing, including HPLC, NMR, and MS, to ensure identity, purity, and consistency. Certificates of Analysis (COA) detailing all specifications are provided with each shipment. We support cGMP compliance for pharmaceutical applications, and our quality protocols are designed to meet the rigorous standards of global research and manufacturing partners.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place. Due to its hygroscopic nature, it is recommended to store the product under an inert atmosphere (e.g., nitrogen or argon) for long-term preservation. Recommended storage temperature is 2-8°C for optimal stability.

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%
Single Unknown Impurity (HPLC)	≤ 0.5%
Total Impurities (HPLC)	≤ 2.0%

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