Description

4-(1,3-Dithian-2-yl)benzoic acid is a specialized organic compound featuring a benzoic acid moiety linked to a 1,3-dithiane protecting group. This unique structure makes it a valuable building block and key intermediate in advanced organic synthesis, particularly for the development of complex pharmaceutical molecules and functional materials. It is primarily sought after by research institutions, pharmaceutical R&D departments, and fine chemical manufacturers engaged in medicinal chemistry and process development.

Application

• Pharmaceutical Intermediate: Serves as a critical precursor in the synthesis of novel active pharmaceutical ingredients (APIs), especially those requiring protected carbonyl functionalities.
• Medicinal Chemistry Research: Used as a versatile scaffold for constructing compound libraries in drug discovery programs targeting various diseases.
• Organic Synthesis Building Block: The 1,3-dithiane group acts as a masked carbonyl equivalent (acyl anion equivalent), enabling unique carbon-carbon bond formations not accessible with the free acid.
• Ligand and Catalyst Development: Potential use in the preparation of specialized ligands or organocatalysts due to the sulfur-containing heterocycle.
• Material Science Precursor: Can be utilized in the synthesis of organic semiconductors or polymers with specific electronic properties.
• Academic Research: Employed in university and institutional labs for methodological studies and the synthesis of complex natural product analogs.

Basic Information

Product Name	4-(1,3-Dithian-2-yl)benzoic Acid
CAS No.	168165-88-6
Molecular Formula	C13H14O2S2
Molecular Weight	266.38 g/mol
Synonyms	4-(1,3-Dithian-2-yl)benzoic acid; 2-(4-Carboxyphenyl)-1,3-dithiane; Benzoic acid, 4-(1,3-dithian-2-yl)-; 4-(1,3-Dithian-2-yl)benzoic acid; 1,3-Dithiane-2-carboxylic acid, 4-phenyl-; 4-(1,3-Dithian-2-yl)benzoic acid (CAS 168165-88-6)
EINECS	Contact for details

Quality Control

Our 4-(1,3-Dithian-2-yl)benzoic acid is produced under strict quality management protocols. Each batch undergoes rigorous analytical testing, including HPLC, NMR, and mass spectrometry, to ensure high chemical purity and structural identity. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all relevant specifications. Our quality systems are designed to support cGMP and ISO standards for reliable use in research and development applications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (15-25°C). Keep away from strong oxidizing agents and bases. For long-term storage, consider storing under an inert atmosphere to maintain optimal stability.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
Loss on Drying	≤ 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.