946425-41-8

Basic information

• Product Name: 5-phenyl-7-thioxo-1,2,3,4,5,6,7,8-octahydropyrimido[4,5-d]pyrimidine-2,4-dione
• Synonyms: 5-phenyl-7-thioxo-1,2,3,4,5,6,7,8-octahydropyrimido[4,5-d]pyrimidine-2,4-dione
• CAS NO: 946425-41-8
• Molecular Weight: 274.303
• Mol File: 946425-41-8.mol
• Article Data: 6

Chemical Properties

• CAS DataBase Reference: 5-phenyl-7-thioxo-1,2,3,4,5,6,7,8-octahydropyrimido[4,5-d]pyrimidine-2,4-dione(CAS DataBase Reference)
• NIST Chemistry Reference: 5-phenyl-7-thioxo-1,2,3,4,5,6,7,8-octahydropyrimido[4,5-d]pyrimidine-2,4-dione(946425-41-8)
• EPA Substance Registry System: 5-phenyl-7-thioxo-1,2,3,4,5,6,7,8-octahydropyrimido[4,5-d]pyrimidine-2,4-dione(946425-41-8)

Safety Data

• Hazardous Substances Data: 946425-41-8(Hazardous Substances Data)

Upstream product

• 67-52-7 BARBITURIC ACID 
• 100-52-7 benzaldehyde 
• 17356-08-0 thiourea 
• 873-83-6 4-Amino-2,6-dihydroxypyrimidine 

Relevant articles and documents

Green Synthesis of Copper Oxide Nanoparticles with an Extract of Euphorbia maculata and Their Use in the Biginelli Reaction

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Facile and simple synthesis of pyrimido[4,5-d]pyrimidinones and pyrano[2,3-d]pyrimidinones catalyzed by nano-sized NS-C4(DABCO-SO3H)2·4Cl

In this work, 4,4′-(butane-1,4-diyl)bis(1-sulfo-1,4-diazabicyclo[2.2.2]octane-1,4-diium)tetrachloride (NS-C4(DABCO-SO3H)2·4Cl), a newly reported nano-sized Br?nsted acid catalyst is used for the effective synthesis of pyrimido[4,5-d]pyrimidinones and pyrano[2,3-d]pyrimidinones derivatives. The products were formed under mild and environmentally friendly conditions in excellent yields over very short reaction times. Using green solvent and simple methodologies, no side reactions and use of inexpensive catalyst with lower loading are other advantages of this work.

One pot synthesis of spiro pyrimidinethiones/spiro pyrimidinones, quinazolinethiones/quinazolinones, and pyrimidopyrimidines

(Chemical Equation Presented) Condensation of cyclohexane-1,3-dione/ barbituric acid, thiourea/urea, and aromatic aldehyde in the mole ratio of 1:1:3 in solventless reaction in presence of NiCl2/KI afforded 1,5-diaryl-3-thioxo-2,4-diazaspiro[5.5]undecane-7,11-dione/1,5-diaryl-2, 4-diazaspiro[5.5]undecane-3,7,11-trione analogues and 7,11-diaryl-9-thioxo-2,4, 8,10-tetraazaspiro[5.5]undecane-1,3,5,-trione/7,11-diaryl-2,4,8, 10-tetraazaspiro[5.5] undecane-1,3,5,9-tetraone analogues, respectively. The similar condensation of cyclohexane-1,3-dione/cyclohexanone, thiourea/urea, and aromatic aldehyde/heteroaromatic aldehyde in the mole ratio of 1:1:1 in refluxing methanol afforded 4-aryl/heteroaryl-2-thioxo-1,2,3,4,5,6,7,8- octahydroquinazolin-5-one, 4-aryl/heteroaryl-1,2,3,4,5,6,7,8- octahydroquinazoline-2,5-dione analogues and 4-aryl/heteroaryl-1,2,3,4,5, 6,7,8-octahydroquinazoline-2-thione, 4-aryl/heteroaryl-1,2,3,4,5,6,7,8- octahydroquinazolin-2-one analogues, respectively. Condensation of heterocyclic active methylene compound, barbituric acid, thiourea/urea, and aromatic aldehydes under similar set of conditions in 1:1:1 mole ratio was carried which afforded 5-aryl-7-thioxo-1,2,3,4,5,6,7,8-octahydropyrimido[4,5-d]pyrimidine-2,4- dione/5-aryl-1,2,3,4,5, 6,7,8-octahydropyrimido[4,5-d]pyrimidine-2,4,7-trione analogues. Similar condensation of an active methine compound, 2-acetylcyclohexanone, thiourea/urea, and aromatic aldehydes in the mole ratio of 1:1:1 produced 5-aryl-1-methyl-3-thioxo-2,4-diazaspiro[5.5]undec-1-en-7-one/ 5-aryl-1-methyl-2, 4-diazaspiro[5.5]undec-1-ene-3, 7-dione analogues, the spiro compounds of entirely different kind. All these identifications and characterizations have been based on the elemental analysis and spectral data.