CTX0294885

Base Information

• Chemical Name: CTX0294885
• CAS No.: 1439934-41-4
• Molecular Formula: C22H24ClN7O
• Molecular Weight: 437.932
• Mol file: 1439934-41-4.mol

Synonyms:CTX0294885;2-(5-chloro-2-(4-(piperazin-1-yl)phenylaMino)pyriMidin-4-ylaMino)-N-MethylbenzaMide;2-(5-chloro-2-(4-(piperazin-1-yl)phenylamino)pyrimidin-4-ylamino)-N-methylbenzamide CTX0294885;CTX-0294885, >=98%;2-[[5-Chloro-2-[[4-(1-piperazinyl)phenyl]amino]-4-pyrimidinyl]amino]-N-methylbenzamide

Chemical Property of CTX0294885

Chemical Property:

• PKA: 14.57±0.46(Predicted)
• PSA: 94.21000
• Density: 1.332±0.06 g/cm3(Predicted)
• LogP: 4.31710
• Solubility.: ≥21.9 mg/mL in DMSO; insoluble in EtOH; insoluble in H2O

Purity/Quality:

98% min ^*data from raw suppliers

CTX0294885 >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of CTX0294885

There total 6 articles about CTX0294885 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: 47.0%

2-[(2,5-dichloropyrimidin-4-yl)amino]-N-methyl-benzamide (761440-08-8) + 4-(piperazin-1-yl)aniline (67455-41-8) → 2-((5-chloro-2-((4-(piperazin-1-yl)phenyl)amino)pyrimidin-4-yl)amino)-N-methylbenzamide (1439934-41-4)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; butan-1-ol; at 150 ℃; for 1h;

DOI:10.1039/c5ra09426g

Reference yield: 15.0%

2-[(2,5-dichloropyrimidin-4-yl)amino]-N-methyl-benzamide (761440-08-8) + 4-(piperazin-1-yl)aniline hydrochloride (1215504-60-1,1185303-28-9) → 2-((5-chloro-2-((4-(piperazin-1-yl)phenyl)amino)pyrimidin-4-yl)amino)-N-methylbenzamide (1439934-41-4)

Guidance literature:

With hydrogenchloride; In 2,2,2-trifluoroethanol; at 95 ℃; for 16h;

Reference yield:

C27H32ClN7O3 → 2-((5-chloro-2-((4-(piperazin-1-yl)phenyl)amino)pyrimidin-4-yl)amino)-N-methylbenzamide (1439934-41-4)

Guidance literature:

In dichloromethane; trifluoroacetic acid; at 20 ℃; for 2h;

DOI:10.1016/j.bmcl.2021.128433

upstream raw materials:

isatoic anhydride

2-[(2,5-dichloropyrimidin-4-yl)amino]-N-methyl-benzamide

4-(piperazin-1-yl)aniline hydrochloride

4-(piperazin-1-yl)aniline

Refernces

• 1、 Russell, Cecilia,Lin, Andrew J. S.,Hains, Peter,Simone, Michela I.,Robinson, Phillip J.,Mccluskey, Adam. "An integrated flow and microwave approach to a broad spectrum protein kinase inhibitor". . p. 93433 - 93437. Retrieved 2015/11/17.