(4-Aminophenyl)[4-(2-pyrimidinyl)piperazino]-methanone

Base Information

• Chemical Name: (4-Aminophenyl)[4-(2-pyrimidinyl)piperazino]-methanone
• CAS No.: 885949-72-4
• Molecular Formula: C15H17N5O
• Molecular Weight: 283.33
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID001195381
• Mol file: 885949-72-4.mol

Synonyms:885949-72-4;(4-Aminophenyl)[4-(2-pyrimidinyl)piperazino]-methanone;(4-aminophenyl)[4-(2-pyrimidinyl)piperazino]methanone;(4-Aminophenyl)(4-(pyrimidin-2-yl)piperazin-1-yl)methanone;(4-aminophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]aniline;(4-Aminophenyl)[4-(pyrimidin-2-yl)piperazin-1-yl]methanone;SCHEMBL220133;DTXSID001195381;MFCD06659558;AKOS000153019;5Y-0222;(4-Aminophenyl)[4-(2-pyrimidinyl)-1-piperazinyl]methanone

Chemical Property of (4-Aminophenyl)[4-(2-pyrimidinyl)piperazino]-methanone

Chemical Property:

• Melting Point: 216
• Boiling Point: 562.9±60.0 °C(Predicted)
• PKA: 4.87±0.33(Predicted)
• PSA: 75.35000
• Density: 1.296±0.06 g/cm3(Predicted)
• LogP: 1.60530
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 283.14331018
• Heavy Atom Count: 21
• Complexity: 342

Purity/Quality:

98%min ^*data from raw suppliers

(4-Aminophenyl)[4-(pyrimidin-2-yl)piperazin-1-yl]methanone ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=C(C=C3)N

Technology Process of (4-Aminophenyl)[4-(2-pyrimidinyl)piperazino]-methanone

There total 2 articles about (4-Aminophenyl)[4-(2-pyrimidinyl)piperazino]-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:

N-(2-pyridinyl)piperazine (20980-22-7) + 4-nitro-benzoyl chloride (122-04-3) → C15H17N5O (885949-72-4)

Guidance literature:

N-(2-pyridinyl)piperazine; 4-nitro-benzoyl chloride; With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃;

With hydrogenchloride; palladium 10% on activated carbon; hydrogen; In methanol; water;

Reference yield:

N-(2-pyridinyl)piperazine (20980-22-7) + 4-amino-benzoic acid (150-13-0,159246-81-8,8014-65-1) → C15H17N5O (885949-72-4)

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1016/j.bmcl.2014.06.049

Reference yield:

C15H17N5O (885949-72-4) + sodium isocyanate (917-61-3) → C16H18N6O2 + C17H19N5O2

Guidance literature:

With acetic acid; In water;

upstream raw materials:

N-(2-pyridinyl)piperazine

4-amino-benzoic acid

4-nitro-benzoyl chloride

Downstream raw materials:

C₂₂H₂₃N₅O