Piperazine, 1-methyl-4-((2-phenyl-4-(4-nitrobenzoyl)-5-pyrimidinyl)carbonyl)-

Base Information

Chemical Name:Piperazine, 1-methyl-4-((2-phenyl-4-(4-nitrobenzoyl)-5-pyrimidinyl)carbonyl)-
CAS No.:116904-25-7
Molecular Formula:C₂₃H₂₁N₅O₄
Molecular Weight:431.451
Hs Code.:
DSSTox Substance ID:DTXSID90151575
Wikidata:Q83018054

Synonyms:FR76659;Piperazine, 1-methyl-4-((2-phenyl-4-(4-nitrobenzoyl)-5-pyrimidinyl)carbonyl)-;5-(4-Methylpiperazin-1-ylcarbonyl)-4-(4-nitrobenzoyl)-2-phenylpyrimidine;1-Methyl-4-((2-phenyl-4-(4-nitrobenzoyl)-5-pyrimidinyl)carbonyl)piperazine;116904-25-7;SCHEMBL195000;DTXSID90151575;LS-112474

Suppliers and Price of Piperazine, 1-methyl-4-((2-phenyl-4-(4-nitrobenzoyl)-5-pyrimidinyl)carbonyl)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemical Property of Piperazine, 1-methyl-4-((2-phenyl-4-(4-nitrobenzoyl)-5-pyrimidinyl)carbonyl)-

Chemical Property:

Vapor Pressure:3.9E-14mmHg at 25°C
Boiling Point:595.2°C at 760 mmHg
Flash Point:313.8°C
Density:1.318g/cm³
XLogP3:2.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:431.15935417
Heavy Atom Count:32
Complexity:676

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1CCN(CC1)C(=O)C2=CN=C(N=C2C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Technology Process of Piperazine, 1-methyl-4-((2-phenyl-4-(4-nitrobenzoyl)-5-pyrimidinyl)carbonyl)-

There total 6 articles about Piperazine, 1-methyl-4-((2-phenyl-4-(4-nitrobenzoyl)-5-pyrimidinyl)carbonyl)- 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:

: 62088-12-4
4-(4-nitro-phenyl)-3-oxo-butyric acid ethyl ester

: 116904-25-7
5-(4-methylpiperazin-1-ylcarbonyl)-4-(4-nitrobenzoyl)-2-phenylpyrimidine

Guidance literature:: Multi-step reaction with 5 steps

1: 2.) Et₃N / 1.) benzene, RT, 3 h, 2.) n-BuOH, reflux, 40 min

2: 74.4 percent / SeO₂ / dioxane; H₂O / 4 h / Heating

3: 92.2 percent / aq. NaOH / ethanol / 0.17 h / 40 °C

4: thionyl chloride, DMF / CH₂Cl₂ / 2 h

5: CH₂Cl₂ / 0.5 h

With sodium hydroxide; selenium(IV) oxide; thionyl chloride; triethylamine; N,N-dimethyl-formamide; In 1,4-dioxane; ethanol; dichloromethane; water;
DOI:10.1248/cpb.42.1279

Reference yield:

: 116904-45-1
4-(4-nitrobenzoyl)-2-phenyl-5-pyrimidinecarboxylic acid

: 116904-25-7
5-(4-methylpiperazin-1-ylcarbonyl)-4-(4-nitrobenzoyl)-2-phenylpyrimidine

Guidance literature:: Multi-step reaction with 2 steps

1: thionyl chloride, DMF / CH₂Cl₂ / 2 h

2: CH₂Cl₂ / 0.5 h

With thionyl chloride; N,N-dimethyl-formamide; In dichloromethane;
DOI:10.1248/cpb.42.1279

Reference yield:

: 116904-36-0
ethyl 4-<(4-nitrophenyl)methyl>-2-phenyl-5-pyrimidinecarboxylate

: 116904-25-7
5-(4-methylpiperazin-1-ylcarbonyl)-4-(4-nitrobenzoyl)-2-phenylpyrimidine

Guidance literature:: Multi-step reaction with 4 steps

1: 74.4 percent / SeO₂ / dioxane; H₂O / 4 h / Heating

2: 92.2 percent / aq. NaOH / ethanol / 0.17 h / 40 °C

3: thionyl chloride, DMF / CH₂Cl₂ / 2 h

4: CH₂Cl₂ / 0.5 h

With sodium hydroxide; selenium(IV) oxide; thionyl chloride; N,N-dimethyl-formamide; In 1,4-dioxane; ethanol; dichloromethane; water;
DOI:10.1248/cpb.42.1279