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

Base Information

Chemical Name:4(1H)-Pyrimidinone, 2-((2-(((3-bromo-2-pyridinyl)methyl)thio)ethyl)amino)-5-((6-methyl-3-pyridinyl)methyl)-, trihydrochloride
CAS No.:71351-53-6
Molecular Formula:C19H23BrCl3N5OS
Molecular Weight:555.7468
Hs Code.:
DSSTox Substance ID:DTXSID20221553

Synonyms:4(1H)-Pyrimidinone, 2-((2-(((3-bromo-2-pyridinyl)methyl)thio)ethyl)amino)-5-((6-methyl-3-pyridinyl)methyl)-, trihydrochloride;71351-53-6;C19H20BrN5OS.3ClH;DTXSID20221553;C19-H20-Br-N5-O-S.3Cl-H;LS-135858

Suppliers and Price of 4(1H)-Pyrimidinone, 2-((2-(((3-bromo-2-pyridinyl)methyl)thio)ethyl)amino)-5-((6-methyl-3-pyridinyl)methyl)-, trihydrochloride

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-(((3-bromo-2-pyridinyl)methyl)thio)ethyl)amino)-5-((6-methyl-3-pyridinyl)methyl)-, trihydrochloride

Chemical Property:

Vapor Pressure:4.61E-17mmHg at 25°C
Boiling Point:648.6°Cat760mmHg
Flash Point:346°C
Density:g/cm³
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:552.98723
Heavy Atom Count:30
Complexity:570

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(C=CC=N3)Br.Cl.Cl.Cl

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

There total 7 articles about 4(1H)-Pyrimidinone, 2-((2-(((3-bromo-2-pyridinyl)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%

: 55485-08-0
2-(2-aminoethyl)thiomethyl-3-bromopyridine

: 71351-50-3
2-methylthio-5-(2-methylpyrid-5-ylmethyl)-1H-pyrimid-4-one

: 71351-53-6
2-[2-(3-Bromo-pyridin-2-ylmethylsulfanyl)-ethylamino]-5-(6-methyl-pyridin-3-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:

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

: 71351-53-6
2-[2-(3-Bromo-pyridin-2-ylmethylsulfanyl)-ethylamino]-5-(6-methyl-pyridin-3-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: 59 percent / NaOH / H₂O; ethanol / 60 °C

7: 67 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:

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

: 71351-53-6
2-[2-(3-Bromo-pyridin-2-ylmethylsulfanyl)-ethylamino]-5-(6-methyl-pyridin-3-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: 59 percent / NaOH / H₂O; ethanol / 60 °C

6: 67 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