4809-04-5

Basic information

• Product Name: 4-{[4-(diethylamino)benzylidene]amino}-5-(5-methyl-1H-pyrazol-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
• CAS NO: 4809-04-5
• Molecular Formula: C₁₈H₁₄O₄
• Molecular Weight: 355.4605
• Mol File: 4809-04-5.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 547.3°C at 760 mmHg
• Flash Point: 284.8°C
• Density: 1.3g/cm³
• Vapor Pressure: 4.94E-12mmHg at 25°C
• Refractive Index: 1.683
• CAS DataBase Reference: 4-{[4-(diethylamino)benzylidene]amino}-5-(5-methyl-1H-pyrazol-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione(CAS DataBase Reference)
• NIST Chemistry Reference: 4-{[4-(diethylamino)benzylidene]amino}-5-(5-methyl-1H-pyrazol-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione(4809-04-5)
• EPA Substance Registry System: 4-{[4-(diethylamino)benzylidene]amino}-5-(5-methyl-1H-pyrazol-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione(4809-04-5)

Safety Data

• Hazardous Substances Data: 4809-04-5(Hazardous Substances Data)

Upstream product

• 88-67-5 2-Iodobenzoic acid 
• 94-02-0 ethyl 3-oxo-3-phenylpropionate 
• 28383-65-5 ethyl 2-diazo-3-oxo-3-phenylpropanoate 
• 88000-67-3 tert-butyl benzoylimidocarboxylate 
• 609-67-6 2-Iodobenzoyl chloride 
• 1569633-54-0 (E)-2-(ethoxycarbonyl)vinyl 2-iodobenzoate 
• 3389-54-6 n-benzoylpyrrolidine 

Relevant articles and documents

Rh(III)-catalyzed C-H activation/cyclization of benzamides and diazo compounds to form isocoumarins and α-pyrones

Rhodium-catalyzed intermolecular cyclization of benzamides and diazo compounds via C-H activation has been achieved to construct C-C/C-O bonds for the first time. The process provides a facile approach for the construction of isocoumarins and α-pyrones wi

Synthesis of isocoumarins via silver(I)-mediated annulation of enol esters

Silver-mediated annulation of 2-iodo enol esters leading to 4- and 3,4-substituted isocoumarins was accomplished selectively at room temperature. Coupling of 2-iodo benzoic acids with enolates that were produced in situ from the simple esters was also performed to produce isocoumarins under analogous reaction conditions. Owing to the mildness of the current protocol, 4-acyl 3-substituted isocoumarins were efficiently produced without any deacylation.