274693-25-3

Basic information

• Product Name: 2-[[(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]tetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]oxy]-acetic acid methyl ester
• Synonyms: 2-[[(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]tetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]oxy]-acetic acid methyl ester;Acetic acid, 2-[[(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]tetrahydro-2,2-diMethyl-4H-cyclopenta-1,3-dioxol-4-yl]oxy]-, Methyl ester;Acetic acid, 2-[[(3aR,4S,6R,6aS;methyl 2-(((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-dimethyl-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)oxy)acetate
• CAS NO: 274693-25-3
• Molecular Formula: C₂₇H₃₂F₂N₆O₅S
• Molecular Weight: 590.6419864
• EINECS: 1312995-182-4
• Mol File: 274693-25-3.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 761.6±70.0 °C(Predicted)
• Appearance: /
• Density: 1.57±0.1 g/cm3 (20 ºC 760 Torr)
• PKA: 2.92±0.30(Predicted)
• CAS DataBase Reference: 2-[[(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]tetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]oxy]-acetic acid methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 2-[[(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]tetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]oxy]-acetic acid methyl ester(274693-25-3)
• EPA Substance Registry System: 2-[[(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]tetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]oxy]-acetic acid methyl ester(274693-25-3)

Safety Data

• Hazardous Substances Data: 274693-25-3(Hazardous Substances Data)

Usage

General Description

The chemical "2-[[(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]tetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]oxy]-acetic acid methyl ester" is a complex compound with a chemical structure that includes a cyclopenta-1,3-dioxol-4-yl group, a triazolo[4,5-d]pyrimidin-3-yl group, and a cyclopropylamino group. It also contains a difluorophenyl group and a propylthio group. The compound is a methyl ester of acetic acid and has potential pharmaceutical applications due to the presence of the 1,2,3-triazole and pyrimidine moieties, which are commonly found in pharmacologically active compounds. The intricate structure and multiple functional groups in this chemical suggest that it may have specific interactions with biological targets, making it an interesting candidate for further study in drug development and medicinal chemistry.

Upstream product

• 220241-60-1 (3aR,4S,6R,6aS)-6-((5-amino-6-chloro-2-(propylthio)pyrimidin-4-yl)amino)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol 
• 220241-61-2 (3aR,4S,6R,6aS)-6-(7-chloro-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol 
• 1431867-41-2 (3aR,4S,6R,6aS)-6-((6-methoxy-5-nitro-2-(propylthio)pyrimidin-4-yl)amino)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol 
• 1431867-42-3 (3aR,4S,6R,6aS)-6-((5-amino-6-methoxy-2-(propylthio)pyrimidin-4-yl)amino)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol 
• 1431867-43-4 (3aR,4S,6R,6aS)-6-(7-methoxy-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol 
• 145783-14-8 4,6-dichloro-5-nitro-2-(propylsulfanyl)pyrimidine 
• 145783-15-9 4,6-dichloro-2-(propylsulfanyl)-5-pyrimidinamine 
• 220241-59-8 (3aR,4S,6R,6aS)-6-((6-chloro-5-nitro-2-(propylthio)pyrimidin-4-yl)amino)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol 
• 155899-66-4 (3aR,4S,6R,6aS)-6-amino-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol 
• 1006614-49-8 (1R,2S)-2-(3,4-difluorophenyl)cyclopropanamine 
• 1431867-54-7 methyl 2-(((3aR,4S,6R,6aS)-6-(7-methoxy-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)acetate 
• 1431867-39-8 4-chloro-6-methoxy-5-nitro-2-(propylthio)pyrimidine 
• 274693-53-7 [3aS-(3aα,4α,6α,6aα)]-(tetrahydro-6-hydroxy-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl)carbamic acid phenylmethyl ester 
• 1402222-66-5 trans-(1R,2S)-2-(3,4-difluorophenyl)cyclopropylamine hydrochloride 

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 
• 274693-27-5 ticagrelor 

Relevant articles and documents

PROCESSES FOR THE PREPARATION OF TICAGRELOR AND ITS INTERMEDIATES

The present invention provides a process for the preparation of ticagrelor. The present invention further provides compounds of Formula IV, Formula V, Formula VI, Formula VIa, Formula VII, and Formula VIII, processes for their preparation, and their use for the preparation of ticagrelor.

SYNTHESIS OF TRIAZOLOPYRIMIDINE COMPOUNDS

The present invention relates to the field of organic synthesis and describes the synthesis of specific triazolopyrimidine compounds and intermediates thereof as well as related derivatives.

Crystalline and amorphous form of a triazolo(4,5-d)pyrimidine compound

The invention provides new forms of a chemical compound of formula (I). The invention relates to forms fo a chemical compound (I), in particular to crystalline and amorphous forms, more particularly four crystalline forms and an amorphous form. The invention further relates to processes for the preparation of such forms, to pharmaceutical compositions comprising the compound in crystalline and/or amorphous form and to therapeutic use of such forms.