87693-90-1

Basic information

• Product Name: METHYL 4-(METHYLTHIO)-6-OXO-2-PHENYL-1,6-DIHYDROPYRIMIDINE-5-CARBOXYLATE
• Synonyms: METHYL 4-(METHYLTHIO)-6-OXO-2-PHENYL-1,6-DIHYDROPYRIMIDINE-5-CARBOXYLATE;METHYL 3,4-DIHYDRO-6-(METHYLTHIO)-4-OXO-2-PHENYLPYRIMIDINE-5-CARBOXYLATE, TECH.
• CAS NO: 87693-90-1
• Molecular Formula: C₁₃H₁₂N₂O₃S
• Molecular Weight: 276.31
• Mol File: 87693-90-1.mol
• Article Data: 3

Chemical Properties

• Melting Point: 283 °C
• Appearance: /
• Density: 1.32g/cm³
• Refractive Index: 1.629
• CAS DataBase Reference: METHYL 4-(METHYLTHIO)-6-OXO-2-PHENYL-1,6-DIHYDROPYRIMIDINE-5-CARBOXYLATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL 4-(METHYLTHIO)-6-OXO-2-PHENYL-1,6-DIHYDROPYRIMIDINE-5-CARBOXYLATE(87693-90-1)
• EPA Substance Registry System: METHYL 4-(METHYLTHIO)-6-OXO-2-PHENYL-1,6-DIHYDROPYRIMIDINE-5-CARBOXYLATE(87693-90-1)

Safety Data

• Hazardous Substances Data: 87693-90-1(Hazardous Substances Data)

Usage

General Description

Methyl 4-(methylthio)-6-oxo-2-phenyl-1,6-dihydropyrimidine-5-carboxylate is a chemical compound with the molecular formula C13H13N3O3S. It is a dihydropyrimidine derivative, which is a class of compounds with potential pharmaceutical and biological activities. This specific compound is a methyl ester that contains a sulfur atom and a phenyl group attached to a dihydropyrimidine ring. It may have applications in medicinal chemistry and drug development due to its potential as a pharmacologically active compound. Further research and studies may be needed to fully understand its properties and potential uses.

InChI:InChI=1/C13H12N2O3S/c1-18-13(17)9-11(16)14-10(15-12(9)19-2)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,15,16)

Upstream product

• 19607-08-0 methyl 2-methoxycarbonyl-3,3-di(methylsulfanyl)acrylate 
• 1670-14-0 benzamidine monohydrochloride 
• 87693-81-0 methyl 3-N-benzoylamino-2-cyano-3-methylthioacrylate 
• 118996-48-8 methyl (Z)-3-benzamido-2-cyano-3-methylthiopropenoate 
• 55-21-0 benzamide 
• 3490-92-4 methyl 2-cyano-3,3-bis(methylsulfanyl)acrylate 

Downstream Products

• 87905-18-8 6-methylthio-2-phenyl-1,3-diazin-4-one 
• 118996-60-4 methyl 4-chloro-6-methylthio-2-phenylpyrimidine-5-carboxylate 
• 118996-57-9 methyl 2-phenyl-4-methylsulfonyl-6-oxopyrimidine-5-carboxylate 
• 87694-05-1 5-hydroxy-2-phenylpyrimido<4,5-b>quinolin-4(3H)-one 
• 118996-73-9 3,4-dihydro-2-phenyl-4,5-dioxo-5H-pyrido<1,2-a>pyrimido<4,5-d>pyrimidine 
• 87694-04-0 methyl 6-anilino-3,4-dihydro-2-phenyl-4-oxopyrimidine-5-carboxylate 
• 118996-79-5 methyl 3,4-dihydroxy-6-phenylthieno<2,3-d>pyrimidine-6-carboxylate 
• 87694-01-7 methyl 6-benzylamino-3,4-dihydro-2-phenyl-4-oxopyrimidine-5-carboxylate 
• 118996-62-6 methyl 6-anilino-4-methylthio-2-phenylpyrimidine-5-carboxylate 
• 87694-02-8 methyl 6-cyclohexylamino-3,4-dihydro-2-phenyl-4-oxopyrimidine-5-carboxylate 
• 87694-03-9 methyl 3,4-dihydro-6-morpholino-2-phenyl-4-oxopyrimidine-5-carboxylate 

Relevant articles and documents

Regioselective Synthesis of Pyrimidines from Ketene Dithioacetals or Alkoxymethylene Compounds

Regioselective cyclizations of the condensation products obtained by the reaction of nitrogen nucleophiles with ketene dithioacetals or alkoxymethylene compounds are reported.Stereoelectronic factors or geometry of the carbon-carbon double bond determine

REACTION OF KETENETHIOACETALS WITH CARBOXAMIDES

Reaction of methyl 2-cyano-3,3-bis(methylthio)-acrylate (1a) with carboxamides in the presence of sodium hydride in a mixture of benzene and N,N-dimethylacetamide gave the corresponding displacement products of methylthio group, methyl 3-(N-alkyl or aryl)carbamoyl-2-cyano-3-(methylthio)-acrylates (3a,b,c,d,e,f,g,h).Refluxing of 3 in methanol gave the corresponding cyclized product, 2-alkyl or 2-aryl-5-methoxycarbonyl-6-methylthio-4(3H)-pyrimidones (4).Compound 3a was allowed to react with amine(morpholine, benzylamine, cyclohexylamine, aniline) to give 4-(substituted amino)-4(3H)-pyrimidone derivatives (6a,b,c,d).