7396-41-0

Basic information

• Product Name: 1,3-DITHIOLE-2-THIONE-4,5-DICARBOXYLIC ACID DIMETHYL ESTER
• Synonyms: 1,3-DITHIOLE-2-THIONE-4,5-DICARBOXYLIC ACID DIMETHYL ESTER;DIMETHYL 2-THIOXO-1,3-DITHIOLE-4,5-DICARBOXYLATE;DIMETHYL 1,3-DITHIOLE-2-THIONE-4,5-DICARBOXYLATE;2-Thioxo-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester;Dimethyl 2-Thioxo-1,3-dithiole-4,5-dicarboxylate 1,3-Dithiole-2-thione-4,5-dicarboxylic Acid Dimethyl Ester
• CAS NO: 7396-41-0
• Molecular Formula: C₇H₆O₄S₃
• Molecular Weight: 250.32
• Product Categories: Charge Transfer Complexes (Synthetic Intermediates);Charge Transfer Complexes for Organic Metals;Functional Materials;Heterocyclic Building Blocks;Others;S-Containing;Building Blocks;Chemical Synthesis;Heterocyclic Building Blocks
• Mol File: 7396-41-0.mol

Chemical Properties

• Melting Point: 86-90 °C(lit.)
• Boiling Point: 362.5°C at 760 mmHg
• Flash Point: 173°C
• Appearance: /
• Density: 1.57g/cm³
• Vapor Pressure: 1.93E-05mmHg at 25°C
• Refractive Index: 1.659
• Solubility: almost transparency in hot Methanol
• BRN: 1288368
• CAS DataBase Reference: 1,3-DITHIOLE-2-THIONE-4,5-DICARBOXYLIC ACID DIMETHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-DITHIOLE-2-THIONE-4,5-DICARBOXYLIC ACID DIMETHYL ESTER(7396-41-0)
• EPA Substance Registry System: 1,3-DITHIOLE-2-THIONE-4,5-DICARBOXYLIC ACID DIMETHYL ESTER(7396-41-0)

Safety Data

• WGK Germany: 3
• F: 8-10-23
• Hazardous Substances Data: 7396-41-0(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
1,3-DITHIOLE-2-THIONE-4,5-DICARBOXYLIC ACID DIMETHYL ESTER is used as an intermediate compound for the synthesis of various pharmaceuticals. Its unique sulfur-containing heterocyclic structure makes it a promising candidate for the development of new drugs with potential therapeutic applications.
Used in Chemical Synthesis:
1,3-DITHIOLE-2-THIONE-4,5-DICARBOXYLIC ACID DIMETHYL ESTER is used as a key building block in the synthesis of a wide range of organic compounds, including dyes, pigments, and other specialty chemicals. Its versatile chemical properties allow for various functional group transformations and reactions, making it a valuable component in the chemical industry.
Used in Material Science:
1,3-DITHIOLE-2-THIONE-4,5-DICARBOXYLIC ACID DIMETHYL ESTER is used as a component in the development of novel materials with unique properties, such as conductive polymers and sensors. Its sulfur-containing heterocyclic structure can contribute to the electronic and optical properties of these materials, making it an important player in the field of material science.
Used in Research and Development:
1,3-DITHIOLE-2-THIONE-4,5-DICARBOXYLIC ACID DIMETHYL ESTER is used as a research compound for studying its chemical properties, reactivity, and potential applications in various fields. Its formation and reaction mechanisms can provide valuable insights into the development of new synthetic methods and the discovery of new compounds with diverse applications.

Synthesis Reference(s)

The Journal of Organic Chemistry, 47, p. 4000, 1982 DOI: 10.1021/jo00141a044

InChI:InChI=1/C7H6O4S3/c1-10-5(8)3-4(6(9)11-2)14-7(12)13-3/h1-2H3

Upstream product

• 822-38-8 1,3-dithiolane-2-thione 
• 762-42-5 dimethyl acetylenedicarboxylate 
• 3489-31-4 4-phenyl-1,3-dithiolane-2-thione 

Downstream Products

• 26314-39-6 tetrakis(methoxycarbonyl)tetrathiafulvalene 
• 66946-49-4 bis(propylenedithio)tetrathiafulvalene 
• 118148-22-4 propylenedithio-4',5'-dimethyl-tetrathiafulvalene-4,5-dicarboxylate 
• 177546-06-4 2-[5-(2,6-Diphenyl-tetrahydro-thiopyran-4-ylidene)-[1,3]dithiolo[4,5-d][1,3]dithiol-2-ylidene]-[1,3]dithiole-4,5-dicarboxylic acid dimethyl ester 
• 228864-75-3 4,5-Bis(tert-butyldiphenylsiloxymethyl)-1,3-dithiole-2-thione 
• 228864-81-1 2,3-Bis(2-cyanoethylthio)-6,7-bis(benzylthiomethyl)tetrathiafulvalene 
• 228864-76-4 2,3-Bis(2-cyanoethylthio)-6,7-bis(tert-butyldiphenylsiloxymethyl)tetrathiafulvalene 
• 153393-50-1 4,5-bis(methoxycarbonyl)-2-(2,6-diphenylthiopyran-4-ylidene)-1,3-dithiole 
• 1359021-11-6 2-(4,5-bis(butylthio)-1,3-dithiol-2-ylidene)-4,7-diphenoxy-[1,3]dithiolo[4,5-d]pyridazine 
• 51225-47-9 tetramethyl 2,2′-[1,4-phenylenebis(methaneylylidene)]bis(1,3-dithiole-4,5-dicarboxylate) 
• 250687-25-3 4,6-dihydro-N-tosyl-(1,3)-dithiolo[4,5-c]pyrrole-2-thione 

Relevant articles and documents

A NEW CONVENIENT METHOD FOR THE SYNTHESIS OF 1,3-DITHIOLANE-2-THIONES AND THEIR USE FOR THE SYNTHESIS OF 4,5-DIMETHOXYCARBONYL-1,3-DITHIOLE-2-THIONE

A preparative method was developed for the synthesis of 1,3-dithiolane-2-thione and 4-phenyl-1,3-dithiolane-2-thione from dibromoethane and 1-phenyl-1,2-dibromoethane and potassium xanthates.It was shown that their reaction with dimethyl acetylenedicarboxylate without a solvent leads to 4,5-dimethoxycarbonyl-1,3-dithiole-2-thione with yields close to quantitative.