Yclopropanecarboxylic acid N-[4-[[4-chloro-6-(5-methyl-2H-pyrazol-3-ylamino)pyrimidin-2-yl]sulfanyl]phenyl]amide

Base Information

• Chemical Name: Yclopropanecarboxylic acid N-[4-[[4-chloro-6-(5-methyl-2H-pyrazol-3-ylamino)pyrimidin-2-yl]sulfanyl]phenyl]amide
• CAS No.: 639090-55-4
• Molecular Formula: C18H17CN6OS
• Molecular Weight: 400.892
• Mol file: 639090-55-4.mol

Synonyms:Cyclopropanecarboxylicacid N-[4-[[4-chloro-6-(5-methyl-2H-pyrazol-3-ylamino)pyrimidin-2-yl]sulfanyl]phenyl]amide;

Chemical Property of Yclopropanecarboxylic acid N-[4-[[4-chloro-6-(5-methyl-2H-pyrazol-3-ylamino)pyrimidin-2-yl]sulfanyl]phenyl]amide

Chemical Property:

• Refractive Index: 1.713
• PKA: 13.85±0.10(Predicted)
• PSA: 120.89000
• Density: 1.49
• LogP: 4.55080
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C

Purity/Quality:

98%,99%, ^*data from raw suppliers

N-(4-(4-Chloro-6-(3-methyl-1H-pyrazol-5-ylamino)-pyrimidin-2-ylthio)phenyl)cyclopropanecarboxamide 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Yclopropanecarboxylic acid N-[4-[[4-chloro-6-(5-methyl-2H-pyrazol-3-ylamino)pyrimidin-2-yl]sulfanyl]phenyl]amide

There total 7 articles about Yclopropanecarboxylic acid N-[4-[[4-chloro-6-(5-methyl-2H-pyrazol-3-ylamino)pyrimidin-2-yl]sulfanyl]phenyl]amide 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: 91.0%

N-{4-[(4,6-dichloropyrimidin-2-yl)sulfanyl]phenyl}cyclopropane carboxamide (639090-53-2) + 3-methyl-5-aminopyrazole (31230-17-8) → N-[4-({4-chloro-6-[(3-methyl-1H-pyrazol-5-yl)amino]pyrimidin-2-yl}sulfanyl)phenyl]cyclopropane carboxamide (639090-55-4)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; potassium iodide; In N,N-dimethyl-formamide; at 50 ℃; for 6h;

Reference yield: 78.0%

N-{4-[(4,6-dichloropyrimidin-2-yl)sulfanyl]phenyl}cyclopropane carboxamide (639090-53-2) + 3-methyl-5-aminopyrazole (31230-17-8) → N-(4-((4-chloro-6-((5-methyl-1H-pyrazol-3-yl)amino)pyrimidin-2-yl)thio)phenyl)cyclopropanecarboxamide (639090-55-4)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; sodium iodide; In N,N-dimethyl-formamide; at 20 - 85 ℃; for 4h;

Reference yield: 78.0%

N-{4-[(4,6-dichloropyrimidin-2-yl)sulfanyl]phenyl}cyclopropane carboxamide (639090-53-2) + 3-amino-5-methylpyrazole (31230-17-8) → N-[4-({4-chloro-6-[(3-methyl-1H-pyrazol-5-yl)amino]pyrimidin-2-yl}sulfanyl)phenyl]cyclopropane carboxamide (639090-55-4)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In DMF (N,N-dimethyl-formamide); water; ethyl acetate; at 20 - 85 ℃; for 4h;

upstream raw materials:

N-{4-[(4,6-dichloropyrimidin-2-yl)sulfanyl]phenyl}cyclopropane carboxamide

3-amino-5-methylpyrazole

3-methyl-5-aminopyrazole

4-aminotiophenol

Downstream raw materials:

N-(4-(4-(2-aminoethylamino)-6-(3-methyl-1H-pyrazol-5-ylamino)pyrimidin-2-ylthio)phenyl)cyclopropanecarboxamide

N-(4-(4-(2-(3-(but-3-ynyl)-3H-diazirin-3-yl)ethylamino)-6-(3-methyl-1H-pyrazol-5-ylamino)pyrimidin-2-ylthio)phenyl)cyclopropanecarboxamide

methyl 2-(4-(2-(4-(cyclopropanecarboxamido)phenylthio)-6-(3-methyl-1H-pyrazol-5-ylamino)pyrimidin-4-yl)piperazin-1-yl)pyrimidine-5-carboxylate

6-[2-[4-(cyclopropanecarbonyl-amino)-phenylsulfanyl]-6-(5-methyl-2H-pyrazol-3-ylamino)-pyrimidin-4-ylamino]-hexanoic acid methyl ester

Refernces

• 1、 Turk, Samo,Merget, Benjamin,Eid, Sameh,Fulle, Simone. "From Cancer to Pain Target by Automated Selectivity Inversion of a Clinical Candidate". . p. 4851 - 4859. Retrieved 2018/05/23.
• 2、 -. "As inhibitors of Aurora kinases substituted pyrimidine derivatives". Paragraph 0333; 0334. . Retrieved 2016/10/09.