4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-((6-methyl-3-pyridinyl)methyl)-, trihydrochloride

Base Information

Chemical Name:4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-((6-methyl-3-pyridinyl)methyl)-, trihydrochloride
CAS No.:76517-95-8
Molecular Formula:C₁₈H₂₂N₆OS*3ClH
Molecular Weight:479.861
Hs Code.:
DSSTox Substance ID:DTXSID70227328

Synonyms:4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-((6-methyl-3-pyridinyl)methyl)-, trihydrochloride;76517-95-8;C18H22N6OS.3ClH;DTXSID70227328;C18-H22-N6-O-S.3Cl-H;LS-135971

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Supply Marketing:

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

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Chemical Property of 4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-((6-methyl-3-pyridinyl)methyl)-, trihydrochloride

Chemical Property:

Vapor Pressure:1.98E-19mmHg at 25°C
Boiling Point:692.6°C at 760 mmHg
Flash Point:372.7°C
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:478.087614
Heavy Atom Count:29
Complexity:552

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=NC=C(C=C1)CC2=CN=C(NC2=O)NCCSCC3=C(NC=N3)C.Cl.Cl.Cl

Technology Process of 4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-((6-methyl-3-pyridinyl)methyl)-, trihydrochloride

There total 6 articles about 4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-((6-methyl-3-pyridinyl)methyl)-, trihydrochloride 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: 67.0%

: 72716-93-9
2-nitroamino-5-(6-methylpyrid-3-ylmethyl)-4(1H)-pyrimidone

: 38585-67-0
4-{[(2-aminoethyl)thio]methyl}-5-methylimidazole

: 76517-95-8
2-<2-(5-methyl-4-imidazolylmethylthio)ethylamino>-5-(6-methylpyrid-3-yl)-4-pyrimidone

Guidance literature:: With hydrogenchloride; In ethanol; for 24h; Heating;
DOI:10.1016/0223-5234(89)90166-9

Reference yield:

: 53014-84-9
2-methyl-5-formylpyridine

: 76517-95-8
2-<2-(5-methyl-4-imidazolylmethylthio)ethylamino>-5-(6-methylpyrid-3-yl)-4-pyrimidone

Guidance literature:: Multi-step reaction with 6 steps

1: pyridine, piperidine

2: conc. H₂SO₄

3: H₂ / 5percent Pd/C / ethanol / 45 °C

4: NaH / 1,2-dimethoxy-ethane / 20 h / Ambient temperature

5: sodium methoxide / methanol / 18 h / Heating

6: 67 percent / 2.) ethanolic hydrogen chloride / ethanol / 24 h / Heating

With piperidine; pyridine; hydrogenchloride; sulfuric acid; hydrogen; sodium methylate; sodium hydride; palladium on activated charcoal; In methanol; 1,2-dimethoxyethane; ethanol;
DOI:10.1016/0223-5234(89)90166-9

Reference yield:

: 72716-73-5
3-(6-methyl-3-pyridyl)acrylic acid

: 76517-95-8
2-<2-(5-methyl-4-imidazolylmethylthio)ethylamino>-5-(6-methylpyrid-3-yl)-4-pyrimidone

Guidance literature:: Multi-step reaction with 5 steps

1: conc. H₂SO₄

2: H₂ / 5percent Pd/C / ethanol / 45 °C

3: NaH / 1,2-dimethoxy-ethane / 20 h / Ambient temperature

4: sodium methoxide / methanol / 18 h / Heating

5: 67 percent / 2.) ethanolic hydrogen chloride / ethanol / 24 h / Heating

With hydrogenchloride; sulfuric acid; hydrogen; sodium methylate; sodium hydride; palladium on activated charcoal; In methanol; 1,2-dimethoxyethane; ethanol;
DOI:10.1016/0223-5234(89)90166-9