4115-15-5

Basic information

• Product Name: 3,5-diphenyl-1,2,4-thiadiazole
• Synonyms: 1,2,4-thiadiazole, 3,5-diphenyl-
• CAS NO: 4115-15-5
• Molecular Formula: C₁₄H₁₀N₂S
• Molecular Weight: 238.3076
• Mol File: 4115-15-5.mol
• Article Data: 39

Chemical Properties

• Melting Point: 90 °C
• Boiling Point: 403.1°C at 760 mmHg
• Flash Point: 189.2°C
• Density: 1.216g/cm³
• Vapor Pressure: 2.44E-06mmHg at 25°C
• Refractive Index: 1.633
• PKA: -0.87±0.30(Predicted)
• CAS DataBase Reference: 3,5-diphenyl-1,2,4-thiadiazole(CAS DataBase Reference)
• NIST Chemistry Reference: 3,5-diphenyl-1,2,4-thiadiazole(4115-15-5)
• EPA Substance Registry System: 3,5-diphenyl-1,2,4-thiadiazole(4115-15-5)

Safety Data

• Hazardous Substances Data: 4115-15-5(Hazardous Substances Data)

Upstream product

• 594-42-3 chlorothio-trichloro-methane 
• 2227-79-4 benzenecarbothioamide 
• 40078-03-3 N-chloro-benzamidine 
• 1848-85-7 N-chloro-N'-phenylbenzamidine 
• 73501-01-6 2,2-bis(trichloromethyl)-5-phenyl-1,3,4-oxathiazole 
• 100-47-0 benzonitrile 
• 73501-05-0 5-(p-chlorophenyl)-2,2-bis(trichloromethyl)-1,3,4-oxathiazole 
• 99315-72-7 2-dichloromethylene-5-phenyl-1,3,4-oxathiazole 
• 3663-37-4 3-phenyl-1,2,4-oxadiazol-5-amine 
• 7719-09-7 thionyl chloride 
• 60-29-7 diethyl ether 
• 7664-93-9 sulfuric acid 
• 7697-37-2 nitric acid 
• 16487-46-0 methyl N,N-dichlorocarbamate 

Downstream Products

• 7664-41-7 ammonia 
• 65-85-0 benzoic acid 
• 493-77-6 2,4,6-triphenyl-1,3,5-triazine 
• 100-47-0 benzonitrile 
• 670-83-7 2,4-diphenyl-1H-imidazole 

Relevant articles and documents

A copper-catalyzed approach for the synthesis of asymmetrical disubstituted 1,2,4-thiadiazoles via elemental sulfur-mediated decarboxylative redox cyclization

The variety of asymmetrical disubstituted 1,2,4-thiadiazoles are smoothly prepared by copper-catalyzed approach, which employed arylacetic acids and amidines as substrates, and elemental sulfur to mediate decarboxylative redox cyclization. The advantages of this method are simple, efficient, and ligand-free. In addition, this method can provide products in moderate to good yields.

Aerobic Visible-Light Induced Intermolecular S?N Bond Construction: Synthesis of 1,2,4-Thiadiazoles from Thioamides under Photosensitizer-Free Conditions

Aerobic visible-light induced intermolecular S?N bond construction has been achieved without the addition of photosensitizer, metal, or base. With this strategy, 1,2,4-thiadiazoles can be obtained from thioamides. Preliminary mechanistic investigation suggested that the excited state of thioamides undergoes a single-electron-transfer (SET) process to afford thioamidyl radicals, which can be further transformed into a 1,2,4-thiadiazole through desulfurization and oxidative cyclization. The reaction has good functional group tolerance and represents a green method for the construction of S?N bonds.

Method for synthesizing 1,2,4-thiadiazole derivative

The invention relates to a method for synthesizing a 1,2,4-thiadiazole derivative, and belongs to the technical field of chemical preparation. The method comprises the following steps: taking and dissolving a phenylacetic acid compound and a benzylamidine hydrochloride compound in an organic solvent according to a mass ratio of (1-2):1, adding a catalyst, an oxidant and an alkaline medium, and stirring at 130-140 DEG C for 18-24 h to react in order to obtain the 1,2,4-thiadiazole derivative; and cooling, extracting, drying, evaporating under reduced pressure to remove the solvent, and carryingout column chromatography to obtain the pure product. The method for synthesizing thiadiazole has the following advantages: (1) the reaction conditions are mild, the product selectivity is high, andthe substrate expansion range is wide; and (2) the used raw materials are low in price and cost, and the reaction operation is simple, safe and convenient.