4,6-DICHLORO-5-NITRO-2-PROPYLTHIOPYRIMIDINE Chemical Properties

Boiling point:

377.8±37.0 °C(Predicted)

Density 

1.54±0.1 g/cm3(Predicted)

vapor pressure 

0.005Pa at 25℃

storage temp. 

Inert atmosphere,Room Temperature

solubility 

Chloroform (Sparingly), DMSO (Sparingly), Ethyl Acetate (Slightly)

pka

-8.48±0.50(Predicted)

form 

Oil

color 

Colourless to Dark Yellow

Stability:

Unstable in DMSO Solution

InChI

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

InChIKey

DDEDQHVHVPJFAC-UHFFFAOYSA-N

SMILES

C1(SCCC)=NC(Cl)=C([N+]([O-])=O)C(Cl)=N1

LogP

2.6 at 25℃ and pH7.3

Surface tension

70.5-71.7mN/m at 9.1mg/L and 25℃

Safety Information

HS Code 

2933599590

4,6-DICHLORO-5-NITRO-2-PROPYLTHIOPYRIMIDINE Usage And Synthesis

Chemical Properties

4,6-Dichloro-5-nitro-2-propylthiopyrimidine is colorless or yellow oil liquid at room temperature and pressure, solubility in dichloromethane, chloroform, dimethyl sulfoxide, ethyl acetate is general, and insoluble in water, and dissolved in dimethyl sulfoxide is easy to deteriorate.

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.

Synthesis

N,N-dimethylaniline (104.8 g, 0.86 mol) was added to a mixture of 5-nitro-2-(propylthio)pyrimidine-4,6-diol (100.0 g, 0.43 mol) and phosphinic acid chloride (238.71 g, 1.55 mol) at zero degrees C. The mixture was heated at 100-110 C and kept at this temperature for 60-90 minutes. The completion of the reaction was monitored by TLC and the reaction material was cooled to 25-30 C and the reaction mixture was quenched with cold water (1.5 L). The extracted product was extracted with dichloromethane (2 x 500 cm3 ) and the dichloro layer was washed with 10% (w/v) sodium bicarbonate solution (500 cm3 ) followed by 15% (w/v) sodium chloride solution (500 cm3 ). Evaporation of the dichloromethane under reduced pressure concentration at 35-40C gives the product 4,6-dichloro-5-nitro-2-(propylthio)pyrimidine.

4,6-DICHLORO-5-NITRO-2-PROPYLTHIOPYRIMIDINE(145783-14-8)Related Product Information

• TICAGRELOR
• Canagliflozin
• Ticagrelor Sulfone
• Tetrahydro-2,2-dimethyl-4,7-methano-6H-1,3-dioxolo[4,5-d][1,2]oxazine-6-carboxylic acid phenylmethyl ester
• 2-((3aR,4S,6R,6aS)-6-amino-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yloxy)ethanol L-tataric acid
• 4,6-dichloro-2-propylthiopyrimidine-5-amine
• (3aR,4S,6R,6aS)-6-Aminotetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-ol
• (1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine (2R)-Hydroxy(phenyl)ethanoate
• 1-Acetyladamantane Intermediate
• (1R trans)-2-(3,4-difluorophenyl)cyclopropane amine. HCl
• Ethanol, 2-[[(3aR,4S,6R,6aS)-6-[[5-aMino-6-chloro-2-(propylthio)-4-pyriMidinyl]aMino]tetrahydro-2,2-diMethyl-4H-cyclopenta-1,3-dioxol-4-yl]oxy]-
• ethyCyclopropanamine, 2-(3,4-difluorophenyl)-, (1R,2S)- (REACH)
• (1R,2R)-2-(3,4-difluorophenyl)cyclopropane carboxaMide
• (1R trans)-2-(3,4-difluorophenyl)cyclopropane amine
• CarbaMicacid,N-[(3aS,4R,6S,6aR)-tetrahydro-6-hydroxy-2,2-diMethyl-4H-cyclopenta-1,3-dioxol-4-yl]-,phenylMethyl ester
• Cyclopropanamine,2-(3,4-difluorophenyl)-(1R,2S) -(2R,3R)-2,3-dihydroxybutanedioate (1:1)
• 2-(((3aR,4S,6R,6aS)-6-(7-aMino-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyriMidin-3-yl)-2,2-diMethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)oxy)ethanol
• (3aR,4S,6R,6aS)-6-(7-(((1R,2S)-2-(3,4-difluorophenyl)cyclopropyl)aMino)-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyriMidin-3-yl)-2,2-