1-(Chloroacetyl)-4-(4-nitrophenyl)piperazine

Base Information

• Chemical Name: 1-(Chloroacetyl)-4-(4-nitrophenyl)piperazine
• CAS No.: 16264-11-2
• Molecular Formula: C12H14 Cl N3 O3
• Molecular Weight: 283.71
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID40397042
• Wikidata: Q82198061
• ChEMBL ID: CHEMBL4217884
• Mol file: 16264-11-2.mol

Synonyms:16264-11-2;1-(chloroacetyl)-4-(4-nitrophenyl)piperazine;2-chloro-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone;Ethanone, 2-chloro-1-[4-(4-nitrophenyl)-1-piperazinyl]-;2-chloro-1-[4-(4-nitrophenyl)piperazin-1-yl]ethan-1-one;SCHEMBL8932385;CHEMBL4217884;DTXSID40397042;MFCD00426166;STK007366;AKOS000117619;CS-0231142;FT-0758618;EN300-10724;1-(Chloroacetyl)-4-(4-nitro-phenyl)piperazine;SR-01000057105;J-503528;SR-01000057105-1;Z56347553;2-Chloro-1-[4-(4-nitrophenyl)-1-piperazinyl]ethanone;3-[N,N-Bis(hydroxyethyl)amino]-2-hydroxypropane sulfonic acid

Chemical Property of 1-(Chloroacetyl)-4-(4-nitrophenyl)piperazine

Chemical Property:

• Vapor Pressure: 2.76E-10mmHg at 25°C
• Boiling Point: 504°Cat760mmHg
• PKA: 1.35±0.10(Predicted)
• Flash Point: 258.6°C
• PSA: 69.37000
• Density: 1.368g/cm³
• LogP: 2.00830
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 283.0723690
• Heavy Atom Count: 19
• Complexity: 332

Purity/Quality:

97% ^*data from raw suppliers

1-(CHLOROACETYL)-4-(4-NITROPHENYL)PIPERAZINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCl

Technology Process of 1-(Chloroacetyl)-4-(4-nitrophenyl)piperazine

There total 1 articles about 1-(Chloroacetyl)-4-(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: 95.0%

1-(4-Nitrophenyl)piperazine (6269-89-2) + chloroacetyl chloride (79-04-9) → 2-chloro-1-<4-(4-nitrophenyl)piperazin-1-yl>acetamide (16264-11-2)

Guidance literature:

With calcium carbonate; In butanone; Ambient temperature;

DOI:10.1021/jm00018a020

Reference yield: 87.0%

tert-butyl 2-(5-hydroxy-1H-indol-3-yl)ethylcarbamate (53157-48-5) + 2-chloro-1-<4-(4-nitrophenyl)piperazin-1-yl>acetamide (16264-11-2) → 1-<2-<<3-<2-ethyl>-1H-indol-5-yl>oxy>acetyl>-4-(4-nitrophenyl)piperazide (169777-63-3)

Guidance literature:

With potassium carbonate; potassium iodide; In butanone; for 16h; Heating;

DOI:10.1021/jm00018a020

Reference yield: 81.0%

1-(4-Nitrophenyl)piperazine (6269-89-2) + 2-chloro-1-<4-(4-nitrophenyl)piperazin-1-yl>acetamide (16264-11-2) → 1,2-bis(4-(4-nitrophenyl)piperazin-1-yl)ethanone

Guidance literature:

With triethylamine; In chloroform; at 80 - 85 ℃; for 16h;

DOI:10.1039/c6md00426a

upstream raw materials:

1-(4-Nitrophenyl)piperazine

chloroacetyl chloride

Downstream raw materials:

1-<2-<<3-<2-ethyl>-1H-indol-5-yl>oxy>acetyl>-4-(4-nitrophenyl)piperazide

1-<2-<<3-<2-ethyl>-1H-indol-5-yl>oxy>acetyl>-4-(4-aminophenyl)piperazide

[2-(5-{2-[4-(4-Acetylamino-phenyl)-piperazin-1-yl]-2-oxo-ethoxy}-1H-indol-3-yl)-ethyl]-carbamic acid tert-butyl ester

N-<4-<4-<2-<<3-<2-ethyl>-1H-indol-5-yl>oxy>acetyl>piperazin-1-yl>phenyl>methanesulfonamide