42039-84-9

Basic information

• Product Name: 5-phenyl-2-sulfanyl-4,6-pyrimidinediol
• Synonyms: 5-phenyl-2-sulfanyl-4,6-pyrimidinediol
• CAS NO: 42039-84-9
• Molecular Formula: C₁₀H₈N₂O₂S
• Molecular Weight: 220.24772
• Mol File: 42039-84-9.mol
• Article Data: 1

Chemical Properties

• Appearance: /
• Density: 1.44 g/cm³
• Refractive Index: 1.682
• CAS DataBase Reference: 5-phenyl-2-sulfanyl-4,6-pyrimidinediol(CAS DataBase Reference)
• NIST Chemistry Reference: 5-phenyl-2-sulfanyl-4,6-pyrimidinediol(42039-84-9)
• EPA Substance Registry System: 5-phenyl-2-sulfanyl-4,6-pyrimidinediol(42039-84-9)

Safety Data

• Hazardous Substances Data: 42039-84-9(Hazardous Substances Data)

Usage

InChI:InChI=1/C10H8N2O2S/c13-8-7(6-4-2-1-3-5-6)9(14)12-10(15)11-8/h1-5,7H,(H2,11,12,13,14,15)

Upstream product

• 71-43-2 benzene 
• 37434-59-6 dimethyl 2-phenylmalonate 
• 17356-08-0 thiourea 
• 83-13-6 diethyl 2-phenylmalonate 

Downstream Products

• 73738-04-2 5-Phenyl-5-ethyl-d⁽⁵⁾-2-thiobarbitursaeure 
• 21237-18-3 5-phenylhexahydropyrimidine-4,6-dione 

Relevant articles and documents

Preparation method of penta-deuterium atom substituted 2-thiophenobarbital

The invention discloses a preparation method of penta-deuterium atom substituted 2-thiophenobarbital, and belongs to the field of organic synthesis and analysis detection. The preparation method comprises the steps that the penta-deuterium atom substituted 2-thiophenobarbital is prepared from methyl malonate as a raw material through Friedel-Crafts alkylation reaction, cyclization reaction and nucleophilic substitution reaction, separation and purification. The prepared deuterated 2-thiophenobarbital has the advantages of high chemical purity, stable deuterium atoms and the like. The method disclosed by the invention is simple to operate, high in yield and low in cost. The invention not only provides a synthesis method of penta-deuterium atom substituted 2-thiophenobarbital with independent intellectual property rights, but also provides a deuterated internal standard substance for analysis and detection.