Description

3,3-Dimethylbutyl Trifluoromethanesulfonate is a specialized alkyl triflate reagent used as a powerful alkylating agent in advanced organic synthesis. Its value lies in its high reactivity, particularly in introducing the bulky 3,3-dimethylbutyl group, which is valuable for creating sterically hindered molecules and complex intermediates. This compound is essential for research chemists and process development scientists in the pharmaceutical, agrochemical, and advanced materials sectors who require precise and efficient synthetic building blocks.

Application

• Pharmaceutical Intermediate Synthesis: A key reagent for the alkylation of heterocycles, amines, and oxygen nucleophiles in the development of active pharmaceutical ingredients (APIs).
• Agrochemical Research: Used to construct complex molecular scaffolds for novel herbicides, fungicides, and plant growth regulators.
• Ligand and Catalyst Development: Employed in the synthesis of specialized phosphine ligands and organometallic catalysts where steric bulk is a critical design parameter.
• Material Science Precursor: Serves as a monomer or functionalization agent in the creation of specialty polymers and advanced organic materials.
• Fine Chemical Manufacturing: Utilized in multi-step synthesis for producing high-value, low-volume specialty chemicals for various industrial applications.

Basic Information

Product Name	3,3-Dimethylbutyl Trifluoromethanesulfonate
CAS No.	212790-53-9
Molecular Formula	C7H13F3O3S
Molecular Weight	234.24 g/mol
Synonyms	3,3-Dimethylbutyl Triflate; 1,1-Dimethylpropyl Trifluoromethanesulfonate; (3,3-Dimethylbutyl) Trifluoromethanesulfonate; tert-Butylmethyl Triflate; Trifluoromethanesulfonic Acid 3,3-Dimethylbutyl Ester; Neohexyl Trifluoromethanesulfonate; 3,3-Dimethyl-1-butyl Triflate
EINECS	Contact for details

Quality Control

Our 3,3-Dimethylbutyl Trifluoromethanesulfonate is manufactured under strict quality control protocols to ensure batch-to-batch consistency and high purity suitable for demanding synthetic applications. We provide comprehensive Certificates of Analysis (COA) with each batch, detailing purity, identity, and impurity profiles. Our quality system is designed to meet the stringent requirements of research and development as well as scale-up processes.

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). Due to its hygroscopic (moisture-sensitive) nature, containers must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent decomposition. Keep away from strong bases and oxidizing agents.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%

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