4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(2-pyridinylmethyl)-, trihydrochloride, hemihydrate

Base Information

Chemical Name:4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(2-pyridinylmethyl)-, trihydrochloride, hemihydrate
CAS No.:64107-50-2
Molecular Formula:C₁₇H₂₀N₆OS*3ClH
Molecular Weight:465.834
Hs Code.:
DSSTox Substance ID:DTXSID50214312

Synonyms:4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(2-pyridinylmethyl)-, trihydrochloride, hemihydrate;64107-50-2;DTXSID50214312;C17H20N6OS.3ClH.1/2H2O;LS-135975;C17-H20-N6-O-S.3Cl-H.1/2H2-O

Suppliers and Price of 4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(2-pyridinylmethyl)-, trihydrochloride, hemihydrate

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-(2-pyridinylmethyl)-, trihydrochloride, hemihydrate

Chemical Property:

Vapor Pressure:9.98E-19mmHg at 25°C
Boiling Point:679.9°Cat760mmHg
Flash Point:365°C
Density:g/cm³
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:464.071964
Heavy Atom Count:28
Complexity:523

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(N=CN1)CSCCNC2=NC=C(C(=O)N2)CC3=CC=CC=N3.Cl.Cl.Cl

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

There total 7 articles about 4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(2-pyridinylmethyl)-, trihydrochloride, hemihydrate 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: 36.0%

: 122945-84-0
2-Methylsulfanyl-5-pyridin-2-ylmethyl-1H-pyrimidin-4-one; hydriodide

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

: 64107-50-2
2-[2-(5-Methyl-1H-imidazol-4-ylmethylsulfanyl)-ethylamino]-5-pyridin-2-ylmethyl-1H-pyrimidin-4-one; hydrochloride

Guidance literature:: With hydrogenchloride; at 145 - 150 ℃; for 5h;
DOI:10.1016/0223-5234(89)90166-9

Reference yield:

: 1121-60-4
pyridine-2-carbaldehyde

: 64107-50-2
2-[2-(5-Methyl-1H-imidazol-4-ylmethylsulfanyl)-ethylamino]-5-pyridin-2-ylmethyl-1H-pyrimidin-4-one; hydrochloride

Guidance literature:: Multi-step reaction with 7 steps

1: pyridine, piperidine

2: conc. H₂SO₄

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

4: sodium wire / diethyl ether / 18 h / Ambient temperature

5: ethanol / 7 h / Heating

6: 69 percent / NaOH / H₂O; ethanol / 60 °C

7: 36 percent / 2.) ethanolic hydrogen chloride / 5 h / 145 - 150 °C

With piperidine; pyridine; hydrogenchloride; sodium hydroxide; sulfuric acid; hydrogen; sodium; palladium on activated charcoal; In diethyl ether; ethanol; water;
DOI:10.1016/0223-5234(89)90166-9

Reference yield:

: 7340-22-9
3-pyridin-2-yl-acrylic acid

: 64107-50-2
2-[2-(5-Methyl-1H-imidazol-4-ylmethylsulfanyl)-ethylamino]-5-pyridin-2-ylmethyl-1H-pyrimidin-4-one; hydrochloride

Guidance literature:: Multi-step reaction with 6 steps

1: conc. H₂SO₄

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

3: sodium wire / diethyl ether / 18 h / Ambient temperature

4: ethanol / 7 h / Heating

5: 69 percent / NaOH / H₂O; ethanol / 60 °C

6: 36 percent / 2.) ethanolic hydrogen chloride / 5 h / 145 - 150 °C

With hydrogenchloride; sodium hydroxide; sulfuric acid; hydrogen; sodium; palladium on activated charcoal; In diethyl ether; ethanol; water;
DOI:10.1016/0223-5234(89)90166-9