4-(4-(4-Nitrophenyl)-1-piperazinyl)phenol

Base Information

• Chemical Name: 4-(4-(4-Nitrophenyl)-1-piperazinyl)phenol
• CAS No.: 112559-81-6
• Molecular Formula: C16H17N3O3
• Molecular Weight: 299.329
• Hs Code.: 2933599090
• European Community (EC) Number: 601-189-8
• UNII: 5KE8XH28SR
• DSSTox Substance ID: DTXSID40464167
• Nikkaji Number: J1.714.565G
• Wikidata: Q72495679
• Mol file: 112559-81-6.mol

Synonyms:112559-81-6;4-(4-(4-Nitrophenyl)-1-piperazinyl)phenol;4-[4-(4-nitrophenyl)piperazin-1-yl]phenol;4-(4-(4-Nitrophenyl)piperazin-1-yl)phenol;4-[4-(4-nitrophenyl)-1-piperazinyl]phenol;Phenol, 4-[4-(4-nitrophenyl)-1-piperazinyl]-;5KE8XH28SR;SCHEMBL3891177;DTXSID40464167;BNHYDULILNJFFY-UHFFFAOYSA-N;BCP18700;MFCD08460988;AKOS008568216;AC-24285;DS-13491;CS-0130720;1-(4-hydroxyphenyl)-4-(4-nitrophenyl)piperazine;A802601;J-002792;N-(4-hydroxyphenyl)-N'-(4-nitrophenyl)-piperazine;N-(4-Hydroxyphenyl)-N'-(4'-nitrophenyl)-piperazine;4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenol

Chemical Property of 4-(4-(4-Nitrophenyl)-1-piperazinyl)phenol

Chemical Property:

• Appearance/Colour: white like or light brown crystalline powder
• Vapor Pressure: 2.61E-12mmHg at 25°C
• Refractive Index: 1.65
• Boiling Point: 540.833 °C at 760 mmHg
• PKA: 12.18±0.30(Predicted)
• Flash Point: 280.886 °C
• PSA: 72.53000
• Density: 1.317 g/cm³
• LogP: 3.28020
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: DMSO (Slightly, Heated)
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 299.12699141
• Heavy Atom Count: 22
• Complexity: 363

Purity/Quality:

99% ^*data from raw suppliers

4-[4-(4-Nitrophenyl)-1-piperazinyl]phenol ^*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-])C3=CC=C(C=C3)O
• Uses: 4-[4-(4-Nitrophenyl)-1-piperazinyl]phenol is a key intermediate in the synthesis of triazole medicines, used in curing deep department fungal infections. Inhibitor of endothelial cell proliferation. 4-[4-(4-Nitrophenyl)-1-piperazinyl]phenol is a key intermediate in the synthesis of triazole medicines, such as itraconazole (I937500), which are used in curing deep department fungal infections. Inhibitor of endothelial cell proliferation.

Technology Process of 4-(4-(4-Nitrophenyl)-1-piperazinyl)phenol

There total 15 articles about 4-(4-(4-Nitrophenyl)-1-piperazinyl)phenol 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: 100.0%

1-(4-hydroxyphenyl)piperazine (56621-48-8) + 4-chlorobenzonitrile (100-00-5) → N-(4-Hydroxyphenyl)-N'-(4'-nitrophenyl)-piperazine (112559-81-6)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In 1-methyl-pyrrolidin-2-one; at 125 ℃; for 12h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.5b01718

Reference yield: 80.0%

1-(4-methoxyphenyl)-4-(4-nitrophenyl)-piperazine (74852-61-2) → N-(4-Hydroxyphenyl)-N'-(4'-nitrophenyl)-piperazine (112559-81-6)

Guidance literature:

With hydrogen bromide; In water; for 24h; Heating;

DOI:10.1016/S0040-4039(02)00556-7

Reference yield: 48.0%

4-[4-(4-nitro-phenyl)-piperazin-1-yl]-phenylamine (153466-15-0) → N-(4-Hydroxyphenyl)-N'-(4'-nitrophenyl)-piperazine (112559-81-6)

Guidance literature:

4-[4-(4-nitro-phenyl)-piperazin-1-yl]-phenylamine; With sulfuric acid; sodium nitrite;

With copper(I) oxide; copper(II) nitrate; In water;

DOI:10.1016/S0040-4039(99)01103-X

upstream raw materials:

4-[4-(4-nitro-phenyl)-piperazin-1-yl]-phenylamine

1-(4-methoxyphenyl)-4-(4-nitrophenyl)-piperazine

1-bromo-4-methoxy-benzene

4-(4-methoxyphenyl)piperazine

Downstream raw materials:

2-(2,4-Dichlorophenyl)-3-(4-[4-(4-nitrophenyl)piperazin-1-yl]phenoxy)-1-(1H-1,2,4-triazol-1-yl)propan-2-ol

2-(2,4-Difluorophenyl)-3-(4-[4-(4-nitrophenyl)piperazin-1-yl]phenoxy)-1-(1H-1,2,4-triazol-1-yl)propan-2-ol