1-Piperazineethanamine, 4-((4-chlorophenyl)-4-pyridinylmethyl)-N-(2,6-dimethyl-3-nitro-4-pyridinyl)-, tetrahydrochloride

Base Information

Chemical Name:1-Piperazineethanamine, 4-((4-chlorophenyl)-4-pyridinylmethyl)-N-(2,6-dimethyl-3-nitro-4-pyridinyl)-, tetrahydrochloride
CAS No.:110629-38-4
Molecular Formula:C₂₅H₂₉ClN₆O₂*4ClH
Molecular Weight:626.841
Hs Code.:
DSSTox Substance ID:DTXSID40911808

Synonyms:110629-38-4;1-Piperazineethanamine, 4-((4-chlorophenyl)-4-pyridinylmethyl)-N-(2,6-dimethyl-3-nitro-4-pyridinyl)-, tetrahydrochloride;C25H29ClN6O2.4ClH;DTXSID40911808;C25-H29-Cl-N6-O2.4Cl-H;LS-112001;N-(2-{4-[(4-Chlorophenyl)(pyridin-4-yl)methyl]piperazin-1-yl}ethyl)-2,6-dimethyl-3-nitropyridin-4(1H)-imine--hydrogen chloride (1/4)

Suppliers and Price of 1-Piperazineethanamine, 4-((4-chlorophenyl)-4-pyridinylmethyl)-N-(2,6-dimethyl-3-nitro-4-pyridinyl)-, tetrahydrochloride

Supply Marketing:

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

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Chemical Property of 1-Piperazineethanamine, 4-((4-chlorophenyl)-4-pyridinylmethyl)-N-(2,6-dimethyl-3-nitro-4-pyridinyl)-, tetrahydrochloride

Chemical Property:

Vapor Pressure:1.22E-16mmHg at 25°C
Boiling Point:647.3°Cat760mmHg
Flash Point:345.3°C
Density:g/cm³
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:626.107813
Heavy Atom Count:38
Complexity:629

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=C(C(=N1)C)[N+](=O)[O-])NCCN2CCN(CC2)C(C3=CC=C(C=C3)Cl)C4=CC=NC=C4.Cl.Cl.Cl.Cl

Technology Process of 1-Piperazineethanamine, 4-((4-chlorophenyl)-4-pyridinylmethyl)-N-(2,6-dimethyl-3-nitro-4-pyridinyl)-, tetrahydrochloride

There total 3 articles about 1-Piperazineethanamine, 4-((4-chlorophenyl)-4-pyridinylmethyl)-N-(2,6-dimethyl-3-nitro-4-pyridinyl)-, tetrahydrochloride 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: 23.0%

: 110629-58-8
4-<(2-chloroethyl)amino>-2,6-dimethyl-3-nitropyridine

: 125742-50-9
1-[4-chlorophenyl(pyridin-4-yl)methyl]piperazine

: 110629-38-4
(2-{4-[(4-Chloro-phenyl)-pyridin-4-yl-methyl]-piperazin-1-yl}-ethyl)-(2,6-dimethyl-3-nitro-pyridin-4-yl)-amine; hydrochloride

Guidance literature:: With hydrogenchloride; triethylamine; In N,N-dimethyl-formamide; for 2h; Heating;
DOI:10.1016/0223-5234(89)90003-2

Reference yield:

: 15513-48-1
4-chloro-2,6-dimethyl-3-nitropyridine

: 110629-38-4
(2-{4-[(4-Chloro-phenyl)-pyridin-4-yl-methyl]-piperazin-1-yl}-ethyl)-(2,6-dimethyl-3-nitro-pyridin-4-yl)-amine; hydrochloride

Guidance literature:: Multi-step reaction with 3 steps

1: 93 percent / triethylamine / propan-2-ol / 20 h / Heating

2: 98 percent / thionylchloride / CH₂Cl₂ / 2 h / Heating

3: 23 percent / 1.) triethylamine; 2.) ethanolic HCl / dimethylformamide / 2 h / Heating

With hydrogenchloride; thionyl chloride; triethylamine; In dichloromethane; N,N-dimethyl-formamide; isopropyl alcohol;
DOI:10.1016/0223-5234(89)90003-2

Reference yield:

: 125742-39-4
4-<(2-hydroxyethyl)amino>-2,6-dimethyl-3-nitropyridine

: 110629-38-4
(2-{4-[(4-Chloro-phenyl)-pyridin-4-yl-methyl]-piperazin-1-yl}-ethyl)-(2,6-dimethyl-3-nitro-pyridin-4-yl)-amine; hydrochloride

Guidance literature:: Multi-step reaction with 2 steps

1: 98 percent / thionylchloride / CH₂Cl₂ / 2 h / Heating

2: 23 percent / 1.) triethylamine; 2.) ethanolic HCl / dimethylformamide / 2 h / Heating

With hydrogenchloride; thionyl chloride; triethylamine; In dichloromethane; N,N-dimethyl-formamide;
DOI:10.1016/0223-5234(89)90003-2