Description

Methyl 3-Bromo-5-(((trifluoromethyl)sulfonyl)-oxy)-4-(trimethylsilyl)benzoate is a high-value, multi-functional synthetic intermediate featuring a unique combination of reactive handles. Its structure, incorporating bromo, triflate, and silyl protecting groups, makes it a critical building block for constructing complex molecules in advanced research and development. This compound is primarily utilized by medicinal and process chemists in the pharmaceutical and agrochemical industries for targeted synthesis, including cross-coupling reactions and the introduction of fluorinated motifs. Its precise reactivity profile enables the efficient development of novel active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of active pharmaceutical ingredients (APIs), particularly in constructing complex aromatic cores for drug discovery programs.
• Agrochemical Synthesis: Used in the research and development of novel herbicides, fungicides, and insecticides, leveraging its halogen and fluorinated groups.
• Material Science Research: Serves as a precursor for advanced organic electronic materials, such as semiconductors and liquid crystals, due to its derivatizable aromatic system.
• Cross-Coupling Reactions: The bromo and triflate groups act as excellent leaving groups for palladium-catalyzed reactions like Suzuki, Stille, and Sonogashira couplings.
• Fluorination Chemistry: The trifluoromethanesulfonate (triflate) group is a powerful activator for nucleophilic aromatic substitution, facilitating the introduction of fluorine or other nucleophiles.
• Protecting Group Strategy: The trimethylsilyl (TMS) group can be used to protect specific positions on the benzene ring during multi-step synthetic sequences.

Basic Information

Product Name	Methyl 3-Bromo-5-(((trifluoromethyl)sulfonyl)-oxy)-4-(trimethylsilyl)benzoate
CAS No.	1242069-32-4
Molecular Formula	C12H14BrF3O5SSi
Molecular Weight	435.27 g/mol
Synonyms	3-Bromo-5-(((trifluoromethyl)sulfonyl)oxy)-4-(trimethylsilyl)benzoic acid methyl ester; Methyl 3-bromo-5-((trifluoromethyl)sulfonyloxy)-4-(trimethylsilyl)benzoate; Methyl 3-bromo-5-trifluoromethanesulfonyloxy-4-trimethylsilylbenzoate; Benzoic acid, 3-bromo-5-[[(trifluoromethyl)sulfonyl]oxy]-4-(trimethylsilyl)-, methyl ester; CAS 1242069-32-4
EINECS	Contact for details

Quality Control

Our production of Methyl 3-Bromo-5-(((trifluoromethyl)sulfonyl)-oxy)-4-(trimethylsilyl)benzoate adheres to stringent quality protocols to ensure batch-to-batch consistency and high purity for research and development applications. Each lot is characterized using advanced analytical techniques including NMR, HPLC, and GC-MS. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with every shipment, supporting your regulatory and quality documentation needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (typically 15-25°C). Keep away from strong acids and incompatible organic solvents. The container should be kept tightly sealed to prevent moisture absorption and degradation.

Specification

Item	Specification
Appearance	White to off-white crystalline powder or solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 95% (Area %)
Water Content (KF)	≤ 0.5%
Residual Solvents (GC)	Meets ICH guidelines

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