Description

2-[(3,4,4-Trifluorobut-3-En-1-Yl)Thio]Nicotinic Acid is a high-value, organofluorine-substituted nicotinic acid derivative, serving as a critical advanced intermediate in modern synthetic chemistry. Its core value lies in the strategic incorporation of fluorine and sulfur functionalities, which are pivotal for modulating the biological activity, metabolic stability, and physicochemical properties of target molecules. This compound is essential for research and development chemists in the pharmaceutical and agrochemical industries, particularly for the synthesis of novel active ingredients requiring precise structural modification.

Application

• Pharmaceutical Intermediate: A key building block for the synthesis of novel drug candidates, especially in developing fluorinated molecules for oncology, CNS disorders, and anti-infective therapies.
• Agrochemical Synthesis: Used in the research and production of next-generation herbicides, fungicides, and insecticides, where the trifluorobutene-thioether moiety can enhance bioavailability and environmental persistence.
• Chemical Biology Probe Development: Serves as a versatile scaffold for creating fluorescent tags, enzyme inhibitors, or other molecular probes due to its reactive carboxylic acid and thioether groups.
• Material Science Research: Investigated as a monomer or additive for creating specialty polymers with unique surface properties or stability, leveraging the fluorine content.
• Organic Synthesis Reagent: Employed in academic and industrial R&D for constructing complex heterocyclic compounds and exploring new coupling reactions.

Basic Information

Product Name	2-[(3,4,4-Trifluorobut-3-En-1-Yl)Thio]Nicotinic Acid
CAS No.	453557-66-9
Molecular Formula	C10H8F3NO2S
Molecular Weight	263.23 g/mol
Synonyms	2-[(3,4,4-Trifluorobut-3-en-1-yl)sulfanyl]pyridine-3-carboxylic acid; Nicotinic acid, 2-[(3,4,4-trifluoro-3-buten-1-yl)thio]-; 3-Pyridinecarboxylic acid, 2-[(3,4,4-trifluoro-3-buten-1-yl)thio]-; 2-((3,4,4-Trifluorobut-3-en-1-yl)thio)nicotinic acid
EINECS	Contact for details

Quality Control

Our production of 2-[(3,4,4-Trifluorobut-3-En-1-Yl)Thio]Nicotinic Acid adheres to stringent quality management systems, ensuring batch-to-batch consistency and high purity for research and scale-up applications. All materials are characterized by advanced analytical techniques including HPLC, NMR, and MS to confirm identity and purity. A comprehensive Certificate of Analysis (COA) detailing purity, assay, and impurity profiles is provided with every shipment to support your regulatory and R&D 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). The compound may be light-sensitive and should be handled under appropriate conditions to maintain stability.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Retention time matches reference standard
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

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