Description

3-(3-Fluoro-Propylsulfanyl)-Benzeneboronic Acid CAS NO 958453-77-5 is a specialized organoboron compound featuring a fluorinated propylthio linker, making it a valuable building block in modern synthetic chemistry. Its core value lies in its dual functionality, where the boronic acid group enables Suzuki-Miyaura cross-coupling reactions, and the fluoroalkylthioether moiety can impart unique physicochemical properties to target molecules. This compound is primarily needed by research chemists and process development scientists in the pharmaceutical and agrochemical industries for creating novel active ingredients and advanced materials.

Application

• Pharmaceutical Intermediate: A key synthon in the synthesis of novel drug candidates, particularly those targeting CNS disorders or requiring fluorinated motifs for metabolic stability.
• Agrochemical Research: Used to construct advanced herbicide and pesticide molecules where the fluorine atom and sulfur linker enhance biological activity and environmental profile.
• Material Science: Serves as a monomer or functionalization agent in the development of specialty polymers, liquid crystals, or organic electronic materials.
• Suzuki-Miyaura Cross-Coupling: Acts as a versatile boronic acid coupling partner for forming carbon-carbon bonds with aryl/heteroaryl halides in medicinal chemistry libraries.
• Fluorine Chemistry Exploration: A valuable substrate for studying the influence of fluoroalkylthioethers on molecular properties like lipophilicity and conformational stability.
• Chemical Biology Probes: Utilized in the design and synthesis of activity-based probes or labeled compounds for proteomics and diagnostic research.

Basic Information

Product Name	3-(3-Fluoro-Propylsulfanyl)-Benzeneboronic Acid
CAS No.	958453-77-5
Molecular Formula	C9H12BFO2S
Molecular Weight	214.07 g/mol
Synonyms	[3-(3-Fluoropropylsulfanyl)phenyl]boronic acid; 3-(3-Fluoropropylthio)benzeneboronic acid; Benzeneboronic acid, 3-(3-fluoropropylthio)-; 3-Fluoropropyl 3-boronophenyl sulfide; (3-((3-Fluoropropyl)thio)phenyl)boronic acid; 958453-77-5; B-[3-(3-Fluoropropylsulfanyl)phenyl]boronic acid
EINECS	Contact for details

Quality Control

Our production of 3-(3-Fluoro-Propylsulfanyl)-Benzeneboronic Acid adheres to stringent internal quality standards to ensure batch-to-batch consistency and reliability for critical research and development applications. Each lot is characterized using advanced analytical techniques including NMR, HPLC, and mass spectrometry. A comprehensive Certificate of Analysis (COA) detailing purity, identity, and impurity profiles is provided with every shipment to support 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 (15-25°C). Due to its hygroscopic nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent moisture absorption and decomposition.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Heavy Metals	≤ 20 ppm

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