Cyclopropanecarboxylic acid [4-(4,6-dichloropyrimidin-2-ylsulfanyl)phenyl]amide

Base Information

• Chemical Name: Cyclopropanecarboxylic acid [4-(4,6-dichloropyrimidin-2-ylsulfanyl)phenyl]amide
• CAS No.: 639090-53-2
• Molecular Formula: C14H11Cl2N3OS
• Molecular Weight: 340.233
• Hs Code.: 2933599090
• Mol file: 639090-53-2.mol

Synonyms:Cyclopropanecarboxylicacid [4-(4,6-dichloropyrimidin-2-ylsulfanyl)phenyl]amide;Cyclopropanecarboxamide, N-[4-[(4,6-dichloro-2-pyrimidinyl)thio]phenyl]-;

Chemical Property of Cyclopropanecarboxylic acid [4-(4,6-dichloropyrimidin-2-ylsulfanyl)phenyl]amide

Chemical Property:

• Refractive Index: 1.684
• PSA: 80.18000
• Density: 1.52
• LogP: 4.35610

Purity/Quality:

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

N-(4-((4,6-Dichloropyrimidin-2-yl)thio)-phenyl)cyclopropanecarboxamide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Cyclopropanecarboxylic acid [4-(4,6-dichloropyrimidin-2-ylsulfanyl)phenyl]amide

There total 3 articles about Cyclopropanecarboxylic acid [4-(4,6-dichloropyrimidin-2-ylsulfanyl)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: 74.0%

(N-(4-mercaptophenyl)cyclopropylcarboxamide) (639090-54-3) + 4,6-dichloro-2-(methylsulfonyl)pyrimidine (4489-34-3) → N-{4-[(4,6-dichloropyrimidin-2-yl)sulfanyl]phenyl}cyclopropane carboxamide (639090-53-2)

Guidance literature:

In tert-butyl alcohol; at 90 ℃; for 1h;

Reference yield:

4-aminotiophenol (1193-02-8) → N-{4-[(4,6-dichloropyrimidin-2-yl)sulfanyl]phenyl}cyclopropane carboxamide (639090-53-2)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / tetrahydrofuran / 4.1 h / 0 - 20 °C

2: tert-butyl alcohol / 4.5 h / 100 °C / Inert atmosphere

With triethylamine; In tetrahydrofuran; tert-butyl alcohol;

Reference yield:

→ N-{4-[(4,6-dichloropyrimidin-2-yl)sulfanyl]phenyl}cyclopropane carboxamide (639090-53-2)

Guidance literature:

upstream raw materials:

(N-(4-mercaptophenyl)cyclopropylcarboxamide)

4,6-dichloro-2-(methylsulfonyl)pyrimidine

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

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 0331; 0332. . Retrieved 2016/10/09.