1-Acetyl-4-(2-chloro-4-nitrophenyl)piperazine

Base Information

• Chemical Name: 1-Acetyl-4-(2-chloro-4-nitrophenyl)piperazine
• CAS No.: 101970-40-5
• Molecular Formula: C12H14ClN3O3
• Molecular Weight: 283.714
• DSSTox Substance ID: DTXSID50387358
• Nikkaji Number: J856.872C
• Wikidata: Q82181489
• Mol file: 101970-40-5.mol

Synonyms:1-acetyl-4-(2-chloro-4-nitrophenyl)piperazine;101970-40-5;1-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]ethanone;1-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]ethan-1-one;1-(4-(2-Chloro-4-nitrophenyl)piperazin-1-yl)ethan-1-one;Oprea1_329359;SCHEMBL3547962;1-[4-(2-Chloro-4-nitro-phenyl)-piperazin-1-yl]-ethanone;DTXSID50387358;OFCJTLZYBAMNSC-UHFFFAOYSA-N;MFCD01895952;STK010705;AKOS000424021;LS-07323;CS-0316740;EU-0006819;1-[4-(2-Chloro-4-nitrophenyl)piperazino]ethanone;Z31212587

Chemical Property of 1-Acetyl-4-(2-chloro-4-nitrophenyl)piperazine

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 283.0723690
• Heavy Atom Count: 19
• Complexity: 353

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Technology Process of 1-Acetyl-4-(2-chloro-4-nitrophenyl)piperazine

There total 1 articles about 1-Acetyl-4-(2-chloro-4-nitrophenyl)piperazine 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: 97.0%

N-acetylpiperidine (13889-98-0) + 3-chloro-4-fluoronitrobenzene (350-30-1) → 1-acetyl-4-(2-chloro-4-nitrophenyl)piperazine (101970-40-5)

Guidance literature:

at 55 ℃; for 1h;

Reference yield: 50.0%

N-(3-fluoro-4-morpholinophenyl)guanidine bicarbonate salt + 1-acetyl-4-(2-chloro-4-nitrophenyl)piperazine (101970-40-5) → N-(3-fluoro-4-morpholin-4-phenyl)-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-amine

Guidance literature:

In 2-methoxy-ethanol; at 100 ℃; for 49h;

Reference yield: 36.0%

(R)-1-(4-guanidino-phenyl)pyrrolidine-2-carboxylic acid cyclopropylamide (862686-45-1) + 1-acetyl-4-(2-chloro-4-nitrophenyl)piperazine (101970-40-5) → (R)-1-{4-[4-(3-isopropyl-2-methyl-3H-imidazol-4-yl)-pyrimidin-2-ylamino]-phenyl}-pyrrolidine-2-carboxylic acid cyclopropylamide

Guidance literature:

In 2-methoxy-ethanol; at 18 - 250 ℃; for 2h;

upstream raw materials:

N-acetylpiperidine

3-chloro-4-fluoronitrobenzene