(1S,2S,3R,5S)-3-(7-(((1R,2S)-2-(3,4-difluorophenyl)cyclopropyl)aMino)-5-(propylsulfinyl)-3H-[1,2,3]triazolo[4,5-d]pyriMidin-3-yl)-5-(2-hydroxyethoxy)cyclopentane-1,2-diol

Base Information

• Chemical Name: (1S,2S,3R,5S)-3-(7-(((1R,2S)-2-(3,4-difluorophenyl)cyclopropyl)aMino)-5-(propylsulfinyl)-3H-[1,2,3]triazolo[4,5-d]pyriMidin-3-yl)-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
• CAS No.: 1644461-85-7
• Molecular Formula: C₂₃H₂₈F₂N₆O₅S
• Molecular Weight: 538.575
• Mol file: 1644461-85-7.mol

Synonyms:

Chemical Property of (1S,2S,3R,5S)-3-(7-(((1R,2S)-2-(3,4-difluorophenyl)cyclopropyl)aMino)-5-(propylsulfinyl)-3H-[1,2,3]triazolo[4,5-d]pyriMidin-3-yl)-5-(2-hydroxyethoxy)cyclopentane-1,2-diol

Chemical Property:

• Melting Point: 206-208°C
• Boiling Point: 821.3±75.0 °C(Predicted)
• PKA: 13.25±0.70(Predicted)
• Density: 1.75±0.1 g/cm3(Predicted)
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly, Heated)

Purity/Quality:

99% ^*data from raw suppliers

TicagrelorSulfoxide(MixtureofDiastereomers) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Uses: Ticagrelor Sulfoxide is an impurity of ticagrelor (T437700). Ticagrelor, the first reversible oral P2Y12 receptor antagonist, provides faster, greater, and more consistent ADP-receptor inhibition than Clopidogrel. Used in the treatment of acute coronary syndromes (ACS).

Technology Process of (1S,2S,3R,5S)-3-(7-(((1R,2S)-2-(3,4-difluorophenyl)cyclopropyl)aMino)-5-(propylsulfinyl)-3H-[1,2,3]triazolo[4,5-d]pyriMidin-3-yl)-5-(2-hydroxyethoxy)cyclopentane-1,2-diol

There total 7 articles about (1S,2S,3R,5S)-3-(7-(((1R,2S)-2-(3,4-difluorophenyl)cyclopropyl)aMino)-5-(propylsulfinyl)-3H-[1,2,3]triazolo[4,5-d]pyriMidin-3-yl)-5-(2-hydroxyethoxy)cyclopentane-1,2-diol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 67.9%

C26H32F2N6O5S → C23H28F2N6O5S (1644461-85-7)

Guidance literature:

With hydrogenchloride; In ethanol; water; at 25 ℃; for 4h;

Reference yield: 63.03%

C26H32F2N6O5S → C23H28F2N6O5S (1644461-85-7)

Guidance literature:

With hydrogenchloride; In ethanol; water; at 25 ℃; for 4h;

Reference yield:

(1R,2S)-2-(3,4-difluorophenyl)cyclopropanamine (1006614-49-8,220352-38-5,1459719-81-3) + 2-{[(3aR,4S,6R,6aR)-6-[7-chloro-5-propylthio-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-2,2-dimethyl-hexahydrocyclopenta[1,3]dioxol-4-yl]oxy}ethanol (376608-75-2) → (1S,2S,3R,5S)-3-[7-{[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino}-5-(propylsulfinyl)-3H-[1,2,3]triazolo-[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol (1644461-85-7) + (1S,2S,3R,5S)-3-[7-{[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino}-5-(propylsulfonyl)-3H-[1,2,3]triazolo-[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol (274693-39-9)

Guidance literature:

2-{[(3aR,4S,6R,6aR)-6-[7-chloro-5-propylthio-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-2,2-dimethyl-hexahydrocyclopenta[1,3]dioxol-4-yl]oxy}ethanol; With 3-chloro-benzenecarboperoxoic acid; In toluene; at -2 - 0 ℃; for 1h;

(1R,2S)-2-(3,4-difluorophenyl)cyclopropanamine; With (R)-Mandelic Acid; potassium carbonate; In water; toluene; for 6h;

With hydrogenchloride; In methanol; water; toluene;

upstream raw materials:

(1R,2S)-2-(3,4-difluorophenyl)cyclopropanamine

2-{[(3aR,4S,6R,6aR)-6-[7-chloro-5-propylthio-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-2,2-dimethyl-hexahydrocyclopenta[1,3]dioxol-4-yl]oxy}ethanol

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

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

Refernces

• 1、 -. "S-type chiral sulfoxide compound preparation method". . . Retrieved 2020/02/10.