(4-Aminophenyl)(4-ethylpiperazin-1-yl)methanone

Base Information

• Chemical Name: (4-Aminophenyl)(4-ethylpiperazin-1-yl)methanone
• CAS No.: 21312-41-4
• Molecular Formula: C13H19N3O
• Molecular Weight: 233.31
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID80360619
• Wikidata: Q82142450
• Mol file: 21312-41-4.mol

Synonyms:21312-41-4;(4-Aminophenyl)(4-ethylpiperazin-1-yl)methanone;4-(4-ethylpiperazine-1-carbonyl)aniline;(4-aminophenyl)-(4-ethylpiperazin-1-yl)methanone;Methanone,(4-aminophenyl)(4-ethyl-1-piperazinyl)-;(4-Amino-phenyl)-(4-ethyl-piperazin-1-yl)-methanone;4-[(4-ethylpiperazin-1-yl)carbonyl]aniline;(4-amino-phenyl)-(4-ethyl-piperazin-1-yl)methanone;SCHEMBL521273;DTXSID80360619;NSBYIXFHERKEPP-UHFFFAOYSA-N;AKOS000111626;AS-76127;BB 0246496;CS-0151992;FT-0734926;4-(4-ethyl-piperazin-1-yl-carbonyl)-aniline;EN300-58815;D94826;SR-01000328765;(4-Aminophenyl)-(4-ethylpiperazin-1-yl) methanone;(4-aminophenyl)-(4-ethylpiperazin-1-yl)-methanone;A1-53576;J-013983;SR-01000328765-1;(4-Amino-phenyl)-(4-ethyl-piperazin-1-yl)-met hanone;Z234897687

Chemical Property of (4-Aminophenyl)(4-ethylpiperazin-1-yl)methanone

Chemical Property:

• Vapor Pressure: 3.49E-07mmHg at 25°C
• Boiling Point: 417.6 °C at 760 mmHg
• Flash Point: 206.4 °C
• PSA: 49.57000
• LogP: 1.50350
• XLogP3: 0
• 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

AN009458:(4-Amino-phenyl)-(4-ethyl-piperazin-1-yl)-methanone 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1CCN(CC1)C(=O)C2=CC=C(C=C2)N

Technology Process of (4-Aminophenyl)(4-ethylpiperazin-1-yl)methanone

There total 3 articles about (4-Aminophenyl)(4-ethylpiperazin-1-yl)methanone 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:

4-(4-ethyl-piperazin-1-yl-carbonyl)-nitrobenzene → (4-amino-phenyl)-(4-ethyl-piperazin-1-yl)-methanone (21312-41-4)

Guidance literature:

With ammonium chloride; zinc; In tetrahydrofuran; water; at 40 ℃; for 4h;

Reference yield:

(4-nitro-phenyl)-piperazin-1-yl-methanone (72141-41-4) → (4-amino-phenyl)-(4-ethyl-piperazin-1-yl)-methanone (21312-41-4)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium tris(acetoxy)borohydride / dichloromethane / 20 °C

2: zinc; ammonium chloride / tetrahydrofuran; water / 4 h / 40 °C

With sodium tris(acetoxy)borohydride; ammonium chloride; zinc; In tetrahydrofuran; dichloromethane; water;

Reference yield:

→ (4-amino-phenyl)-(4-ethyl-piperazin-1-yl)-methanone (21312-41-4)

Guidance literature:

1-Aethyl-4-<4-nitro-benzoyl>-piperazin, 1) Fe-Pulver, wss.HCl, 2) 10percent Na2CO3;

DOI:10.1002/jps.2600571210

upstream raw materials:

(4-nitro-phenyl)-piperazin-1-yl-methanone

Downstream raw materials:

methyl 3-(Z)-[1-{4-[(4-ethyl-piperazin-1-yl)-carbonyl]-phenylamino}-1-phenyl-methylidene]-2-indolinone-6-carboxylate

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