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1,4-Butanediol Bis(2,2,2-Trifluoroethane Sulphonate) CAS NO 117186-54-6


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CAS No.:117186-54-6

Grade:Pharmacy Grade

Content:99.9%

Brand:Customizable

Packaging:Customizable

Description

1,4-Butanediol Bis(2,2,2-Trifluoroethane Sulphonate) is a specialized fluorinated sulfonate ester derivative, serving as a critical bifunctional alkylating agent and building block in advanced organic synthesis. Its primary commercial value lies in its ability to introduce trifluoroethanesulfonate (triflate) leaving groups, enabling high-yield nucleophilic substitution reactions under mild conditions. This compound is essential for researchers and manufacturers in the pharmaceutical, agrochemical, and materials science sectors, particularly for constructing complex molecules, developing novel polymers, and synthesizing active pharmaceutical ingredients (APIs).

Application

  • Pharmaceutical Intermediate: Key building block for the synthesis of complex drug molecules and active pharmaceutical ingredients (APIs), especially those requiring fluorinated motifs.
  • Agrochemical Synthesis: Used in the production of advanced herbicides, fungicides, and pesticides where the triflate group facilitates efficient coupling reactions.
  • Polymer & Materials Science: Acts as a monomer or cross-linking agent in the development of specialty polymers, including fluorinated polymers and high-performance resins.
  • Organic Synthesis Reagent: A versatile alkylating agent in research laboratories for C-O and C-N bond formation, leveraging the excellent leaving group ability of the triflate moiety.
  • Liquid Crystal & Electronic Materials: Employed in the synthesis of precursors for liquid crystal displays (LCDs) and other electronic chemicals.
  • Cross-Coupling Reactions: Serves as an electrophile in palladium-catalyzed cross-coupling reactions (e.g., Suzuki, Stille) to construct biaryl systems.

Basic Information

Product Name 1,4-Butanediol Bis(2,2,2-Trifluoroethane Sulphonate)
CAS No. 117186-54-6
Molecular Formula C8H10F6O6S2
Molecular Weight 404.28 g/mol
Synonyms 1,4-Butanediol ditriflate; Butane-1,4-diyl bis(2,2,2-trifluoroethanesulfonate); 1,4-Bis(triflyloxy)butane; 1,4-Butylene ditriflate; 2,2,2-Trifluoroethanesulfonic Acid 1,4-Butanediyl Ester; 1,4-Di-O-triflyl-butane; Butane-1,4-diol ditrifluoromethanesulfonate (common misnomer); 1,4-Butanediol bis(trifluoromethanesulfonate) (common misnomer)
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Quality Control

Our 1,4-Butanediol Bis(2,2,2-Trifluoroethane Sulphonate) is manufactured under a strict quality management system. Every batch undergoes comprehensive analytical testing, including HPLC, NMR, and Karl Fischer titration, to ensure high purity and consistency. We provide a detailed Certificate of Analysis (COA) with each shipment, confirming compliance with customer specifications. For cGMP or other specific regulatory requirements, please contact our technical sales team.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation. Keep away from heat, sparks, and open flame.

Specification

Item Specification
Appearance Colorless to pale yellow liquid
Identification (IR) Conforms to structure
Purity (HPLC) ≥ 98.0%
Water Content (KF) ≤ 0.5%
Related Substances (HPLC) Total impurities ≤ 2.0%
Specific Gravity 1.55 - 1.65 g/cm³

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

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