4-[(4-Acetyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide

Base Information

Chemical Name:4-[(4-Acetyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide
CAS No.:1321600-77-4
Molecular Formula:C₃₀H₃₁N₇O₂
Molecular Weight:521.622
Hs Code.:
DSSTox Substance ID:DTXSID501111736
ChEMBL ID:CHEMBL2386591

Synonyms:1321600-77-4;4-[(4-Acetyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide;Benzamide, 4-[(4-acetyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-;SCHEMBL2320018;CHEMBL2386591;DTXSID501111736

Suppliers and Price of 4-[(4-Acetyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide

Supply Marketing:

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

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Chemical Property of 4-[(4-Acetyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide

Chemical Property:

XLogP3:3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:521.25392326
Heavy Atom Count:39
Complexity:796

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C(=O)C)NC4=NC=CC(=N4)C5=CN=CC=C5

Technology Process of 4-[(4-Acetyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide

There total 4 articles about 4-[(4-Acetyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide 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: 52.0%

: 13889-98-0
N-acetylpiperidine

: 404844-10-6
4-(сhloromethyl)-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-benzamide hydrochloride

: 1321600-77-4
4-[(4-acetyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide

Guidance literature:: With N-ethyl-N,N-diisopropylamine; In dichloromethane; N,N-dimethyl-formamide; at 50 ℃; for 18h; Sealed tube;
DOI:10.1016/j.bmc.2013.03.038

Reference yield:

: 108-24-7
acetic anhydride

: 404844-02-6
N-Desmethyl Imatinib

: 1321600-77-4
4-[(4-acetyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide

Guidance literature:: With triethylamine; In dichloromethane; at 20 - 25 ℃; for 0.5h;

Reference yield:

: 152460-10-1
6-methyl-1-N-(4-(pyridin-3-yl)pyrimidin-2-yl)benzene-1,3-diamine

: 1321600-77-4
4-[(4-acetyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide

Guidance literature:: Multi-step reaction with 2 steps

1: 1,4-dioxane / 2.75 h / 22 - 34 °C

2: N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide; dichloromethane / 18 h / 50 °C / Sealed tube

With N-ethyl-N,N-diisopropylamine; In 1,4-dioxane; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1016/j.bmc.2013.03.038