1-{4-[(4-Aminophenyl)methyl]piperazin-1-yl}ethan-1-one

Base Information

• Chemical Name: 1-{4-[(4-Aminophenyl)methyl]piperazin-1-yl}ethan-1-one
• CAS No.: 934601-25-9
• Molecular Formula: C₁₃H₁₉N₃O
• Molecular Weight: 233.313
• European Community (EC) Number: 895-874-0

Synonyms:934601-25-9;1-{4-[(4-aminophenyl)methyl]piperazin-1-yl}ethan-1-one;1-[4-[(4-aminophenyl)methyl]piperazin-1-yl]ethanone;1-(4-[(4-Aminophenyl)methyl]piperazin-1-yl)ethan-1-one;1-(4-(4-aminobenzyl)piperazin-1-yl)ethanone;SCHEMBL3916831;AKOS000142479;DB-345254;CS-0225476;EN300-123997;G43065;Z240089334

Chemical Property of 1-{4-[(4-Aminophenyl)methyl]piperazin-1-yl}ethan-1-one

Chemical Property:

• Boiling Point: 416.4±40.0 °C(Predicted)
• Density: 1.164±0.06 g/cm3(Predicted)
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 233.152812238
• Heavy Atom Count: 17
• Complexity: 253

Purity/Quality:

97% ^*data from raw suppliers

1-{4-[(4-Aminophenyl)methyl]piperazin-1-yl}ethan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)N1CCN(CC1)CC2=CC=C(C=C2)N

Technology Process of 1-{4-[(4-Aminophenyl)methyl]piperazin-1-yl}ethan-1-one

There total 1 articles about 1-{4-[(4-Aminophenyl)methyl]piperazin-1-yl}ethan-1-one 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:

C13H17N3O3 → 1-(4-(4-aminobenzyl)piperazin-1-yl)ethanone (934601-25-9)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In ethyl acetate; for 3h;

Reference yield: 30.0%

1-(4-(4-aminobenzyl)piperazin-1-yl)ethanone (934601-25-9) + 2-chloro-4-(4-methylthiophen-2-yl)-7-tosyl-7H-pyrrolo[2,3-d]pyrimidine (1142945-86-5) → 1-(4-(4-(4-(4-methylthiophen-2-yl)-7-tosyl-7H-pyrrolo[2,3-d]pyrimidin-2-ylamino)benzyl)piperazin-1-yl)ethanone (1142946-71-1)

Guidance literature:

With caesium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; In N,N-dimethyl-formamide; at 130 ℃; for 2.03333h;

Reference yield:

1-(4-(4-aminobenzyl)piperazin-1-yl)ethanone (934601-25-9) + 1-(2-chloropyrimidin-4-yl)-1H-indole-3-carboxamide → 1-{2-[4-(4-acetylpiperazin-1-methyl)phenylamino]pyrimidin-4-yl}-1H-indole-3-carboxamide

Guidance literature:

With methanesulfonic acid; In isopropyl alcohol; for 4h; Reflux; Inert atmosphere;

Downstream raw materials:

1-(4-(4-(4-(4-methylthiophen-2-yl)-7-tosyl-7H-pyrrolo[2,3-d]pyrimidin-2-ylamino)benzyl)piperazin-1-yl)ethanone

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