2753-74-4

Basic information

• Product Name: 5-ethyldihydro-5-phenyl-2-thioxopyrimidine-4,6(1H,5H)-dione
• Synonyms: 5-ethyldihydro-5-phenyl-2-thioxopyrimidine-4,6(1H,5H)-dione;5-Ethyl-5Phenyl-2-ThiobarnituricAcid;5-Ethyl-5-Phenyl-2-thio barbituric acid;2-Thiophenobarbital;5-Ethyl-5-phenylthiobarbituric acid;5-Ethyldihydro-5-phenyl-2-thioxo-4,6(1H,5H)-pyrimidinedione;5-Phenyl-5-ethyl-2-thiobarbituric Acid;NSC 120809
• CAS NO: 2753-74-4
• Molecular Formula: C₁₂H₁₂N₂O₂S
• Molecular Weight: 248.30088
• EINECS: 220-401-6
• Product Categories: Heterocycles;Intermediates & Fine Chemicals;Pharmaceuticals;Sulfur & Selenium Compounds
• Mol File: 2753-74-4.mol

Chemical Properties

• Melting Point: 211-212 °C
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Appearance: Pale Yellow Solid
• Density: 1.34 g/cm³
• Refractive Index: 1.645
• PKA: 6.75±0.40(Predicted)
• CAS DataBase Reference: 5-ethyldihydro-5-phenyl-2-thioxopyrimidine-4,6(1H,5H)-dione(CAS DataBase Reference)
• NIST Chemistry Reference: 5-ethyldihydro-5-phenyl-2-thioxopyrimidine-4,6(1H,5H)-dione(2753-74-4)
• EPA Substance Registry System: 5-ethyldihydro-5-phenyl-2-thioxopyrimidine-4,6(1H,5H)-dione(2753-74-4)

Safety Data

• Hazardous Substances Data: 2753-74-4(Hazardous Substances Data)

Usage

Chemical Properties

Pale Yellow Solid

Uses

Antimalarial compound

InChI:InChI=1/C12H12N2O2S/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)

Upstream product

• 50-06-6 phenobarbital 
• 17356-08-0 thiourea 
• 76-67-5 diethyl ethyl(phenyl)malonate 

Downstream Products

• 343339-89-9 S-methyl-2-thiophenobarbital 
• 104169-72-4 5-ethyl-1-methyl-5-phenyl-2-thioxo-1,2-dihydropyrimidine-4,6(3H,5H)-dione 
• 101938-70-9 2-thio-N,N'-dimethylphenobarbital 
• 157135-77-8 N,S-dimethyl-2-thiophenobarbital 
• 58061-80-6 5-ethyl-5-(3-nitro-phenyl)-dihydro-pyrimidine-4,6-dione 
• 104396-69-2 5-ethyl-5-(3-amino-phenyl)-dihydro-pyrimidine-4,6-dione 
• 694447-38-6 5-ethyl-5-phenyl-1H-pyrimidine-4,6-dione 
• 50-06-6 phenobarbital 
• 115-38-8 mephobarbital 
• 117752-98-4 5-Ethyl-2-dihydro-5-phenyl-2-propoxy-4,6(1H,5H)-pyrimidinedione 
• 125-33-7 pirimidone 
• 104741-26-6 5-ethyl-5-phenyl-tetrahydro-pyrimidine-2-thione 
• 101269-07-2 5-ethyl-1-(2-dimethylamino-ethyl)-5-phenyl-2-thio-barbituric acid 
• 117752-97-3 2-Ethoxy-5-ethyl-2-dihydro-5-phenyl-4,6(1H,5H)-pyrimidinedione 

Relevant articles and documents

PRIMIDONE PROCESS AND COMPOSITIONS

The present invention relates to a process for the preparation of primidone. It also relates to compositions comprising primidone of desired particle size distribution, processes for the preparation of such particles and processes for the preparation of the compositions.

Synthesis of thio derivatives of phenobarbital and its N-methyl derivatives

Differently substituted thio derivatives of phenobarbital and its N-mono- and N,N′-dimethyl derivatives were obtained by thionation of respective substrates with Lawesson's reagent. The structure of the products not described in the literature was confirmed by spectral and elemental analyses. The spectral properties allow to differentiate between positional isomers of the products.