145783-14-8

Basic information

• Product Name: 4,6-DICHLORO-5-NITRO-2-PROPYLTHIOPYRIMIDINE
• Synonyms: 4,6-DICHLORO-5-NITRO-2-PROPYLTHIOPYRIMIDINE;PyriMidine, 4,6-dichloro-5-nitro-2-(propylthio)-;4,6-dichloro-5-nitro-2-(propylsulfanyl)pyriMidine;4,6-dichloro-5-nitro-2-(propylsulfanyl)pyriMidine 4,6-dichloro-5-nitro-2-(propylsulfanyl)pyriMidine;4,6-Dichloro-5-nitro-2-(propythio)pyrimidine;4,6-Dichloro-5-nitro-2-propylthiopyridine;4,6-DICHLORO-5-NITRO-2-PROPYLTHIOPYRIMIDI;EOS-61674
• CAS NO: 145783-14-8
• Molecular Formula: C₇H₇Cl₂N₃O₂S
• Molecular Weight: 268.12
• EINECS: 1312995-182-4
• Product Categories: pyrimidine;Heterocycle-Pyrimidine series;Intermediate of Ticagrelor
• Mol File: 145783-14-8.mol
• Article Data: 20

Chemical Properties

• Boiling Point: 377.79 °C at 760 mmHg
• Flash Point: 182.281 °C
• Appearance: Yellow power
• Density: 1.547 g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.608
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility: Chloroform (Sparingly), DMSO (Sparingly), Ethyl Acetate (Slightly)
• PKA: -8.48±0.50(Predicted)
• Stability: Unstable in DMSO Solution
• CAS DataBase Reference: 4,6-DICHLORO-5-NITRO-2-PROPYLTHIOPYRIMIDINE(CAS DataBase Reference)
• NIST Chemistry Reference: 4,6-DICHLORO-5-NITRO-2-PROPYLTHIOPYRIMIDINE(145783-14-8)
• EPA Substance Registry System: 4,6-DICHLORO-5-NITRO-2-PROPYLTHIOPYRIMIDINE(145783-14-8)

Safety Data

• Hazardous Substances Data: 145783-14-8(Hazardous Substances Data)

Usage

Uses

4,6-Dichloro-5-nitro-2-(propylthio)pyrimidine is used as a reactnat in the synthesis of carba-nucleosides as potent antagonists of ADP purinergic receptor P2Y12 on human platelets.

InChI:InChI=1/C7H7Cl2N3O2S/c1-2-3-15-7-10-5(8)4(12(13)14)6(9)11-7/h2-3H2,1H3

Upstream product

• 145783-13-7 4,6-dihydroxy-5-nitro-2-(propylthio)pyrimidine 
• 91-66-7 N,N-diethylaniline 
• 145783-13-7 6-Hydroxy-5-nitro-2-(propylthio)-4(1H)-pyrimidinone 
• 121-69-7 N,N-dimethyl-aniline 
• 145783-13-7 6-hydroxy-5-nitro-2-(propylthio)-4(3H)-pyrimidinone 
• 145783-12-6 4,6-dihydroxy-2-(propylsulfanyl)pyrimidine 

Downstream Products

• 274693-26-4 [3aR-[3aα,4α,6α,(1R,2S),6aα]]-2-[6-[[[7-(2-(3,4-difluorophenyl)cyclopropyl)]amino-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]tetrahydro-2,2-dimethyl-4H-cyclopenteno-1,3-dioxolan-4-yl]oxy]ethanol 
• 376608-74-1 2-[((3aR,4S,6R,6aS)-6-[[5-amino-6-chloro-2-(propylsulfanyl)-4-pyrimidinyl]amino]-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)oxy]-1-ethanol 
• 376608-75-2 2-({(3aR,4S,6R,6aS)-6-[7-chloro-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-3-yl]-2,2-dimethyltetrahydro-3aH-cyclopentadiene[d][1,3]dioxolene-4-yl}oxy)ethanol 
• 274693-27-5 ticagrelor 

Relevant articles and documents

Pyrimido triazole compound and medical application thereof (by machine translation)

The present invention relates to a compound of general (I) or a hydrate thereof or a pharmaceutically acceptable salt, thereof, a hydrate thereof or a pharmaceutically acceptable salt thereof, a pharmaceutical composition containing the same or a pharmaceutically acceptable salt thereof, and use, of the compound or a pharmaceutically acceptable salt thereof in the manufacture of a medicament . The medicament is for anti-platelet aggregation and treatment of related diseases such as antithrombotic . (by machine translation)

Method for preparing 4,6-dichloro-5-nitro-2-(propylmercapto)-pyrimidine

The invention discloses a method for preparing 4,6-dichloro-5-nitro-2-(propylmercapto)-pyrimidine. The method comprises the following steps: dissolving 6-hydroxy-5-nitro-2-(propylmercapto)-4-(3H)-pyrimidone into toluene, performing cooling, slowly dropping pyrophosphoryl chloride, performing heating, adding a catalyst, performing a reaction for 10-40 hours, performing cooling after the reaction is ended, pouring the reaction system into ice water, performing stirring and layering, adding neutral silica gel of 60-120 meshes into the upper toluene layer, performing stirring, performing filtration, and performing rotary evaporation on the filtrate to recycle the toluene so as to obtain the oily 4,6-dichloro-5-nitro-2-(propylmercapto)-pyrimidine. The method is mild in reaction condition, high in reaction yield and small in environment pollution.

For the improvement of the [...] intermediates preparation method

The invention relates to an improved preparation method for the intermediate 4, 6-dihalogen-2-(propythio)pyrimidine-5-amine used for preparing the anticoagulation drug ticagrelor, and application of the intermediate in preparation of ticagrelor. By use of a phase transfer reagent, the method reduces the halogenating reagent consumption and emission and treatment of toxic substances. Also, the obtained product has high yield and good purity. Thus, the method is a greener and more economical preparation method more suitable for industrial application.