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

Base Information

Chemical Name:4(1H)-Pyrimidinone, 2-((2-(((3-bromo-2-pyridinyl)methyl)thio)ethyl)amino)-5-(4-pyridinylmethyl)-, trihydrobromide
CAS No.:122945-89-5
Molecular Formula:3BrH*C₁₈H₁₈BrN₅OS
Molecular Weight:675.08
Hs Code.:
DSSTox Substance ID:DTXSID40153802

Synonyms:122945-89-5;4(1H)-Pyrimidinone, 2-((2-(((3-bromo-2-pyridinyl)methyl)thio)ethyl)amino)-5-(4-pyridinylmethyl)-, trihydrobromide;DTXSID40153802;LS-135861

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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-(((3-bromo-2-pyridinyl)methyl)thio)ethyl)amino)-5-(4-pyridinylmethyl)-, trihydrobromide

Chemical Property:

Vapor Pressure:1.56E-17mmHg at 25°C
Boiling Point:653.4°Cat760mmHg
Flash Point:349°C
Density:g/cm³
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:674.81593
Heavy Atom Count:29
Complexity:536

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=C(N=C1)CSCCNC2=NC=C(C(=O)N2)CC3=CC=NC=C3)Br.Br.Br.Br

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

There total 7 articles about 4(1H)-Pyrimidinone, 2-((2-(((3-bromo-2-pyridinyl)methyl)thio)ethyl)amino)-5-(4-pyridinylmethyl)-, trihydrobromide 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: 57.0%

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

: 64107-41-1
5-(pyridin-4-ylmethyl)-2-methylthio-4-pyrimidone

: 122945-89-5
2-[2-(3-Bromo-pyridin-2-ylmethylsulfanyl)-ethylamino]-5-pyridin-4-ylmethyl-1H-pyrimidin-4-one; hydrobromide

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

Reference yield:

: 872-85-5
pyridine-4-carbaldehyde

: 122945-89-5
2-[2-(3-Bromo-pyridin-2-ylmethylsulfanyl)-ethylamino]-5-pyridin-4-ylmethyl-1H-pyrimidin-4-one; hydrobromide

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: 79 percent / NaOH / H₂O; ethanol / 60 °C

7: 57 percent / 2.) 2 N HBr / 5 h / 145 - 150 °C

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

Reference yield:

: 5337-79-1
3-(4-pyridinyl)-2-propenoic acid

: 122945-89-5
2-[2-(3-Bromo-pyridin-2-ylmethylsulfanyl)-ethylamino]-5-pyridin-4-ylmethyl-1H-pyrimidin-4-one; hydrobromide

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: 79 percent / NaOH / H₂O; ethanol / 60 °C

6: 57 percent / 2.) 2 N HBr / 5 h / 145 - 150 °C

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