4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(2-thienylmethyl)-, dihydrobromide

Base Information

Chemical Name:4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(2-thienylmethyl)-, dihydrobromide
CAS No.:71351-13-8
Molecular Formula:C16H21Br2N5OS2
Molecular Weight:523.3088
Hs Code.:
DSSTox Substance ID:DTXSID00221551

Synonyms:4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(2-thienylmethyl)-, dihydrobromide;71351-13-8;C16H19N5OS2.2BrH;DTXSID00221551;C16-H19-N5-O-S2.2Br-H;LS-135978

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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-(2-thienylmethyl)-, dihydrobromide

Chemical Property:

Vapor Pressure:5.91E-18mmHg at 25°C
Boiling Point:661.4°Cat760mmHg
Flash Point:353.8°C
Density:g/cm³
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:522.95338
Heavy Atom Count:26
Complexity:511

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=CS3.Br.Br

Technology Process of 4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(2-thienylmethyl)-, dihydrobromide

There total 6 articles about 4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(2-thienylmethyl)-, dihydrobromide 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: 68.0%

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

: 64107-48-8
5-(thien-2-ylmethyl)-2-methylthio-4-pyrimidone

: 71351-13-8
2-[2-(5-Methyl-1H-imidazol-4-ylmethylsulfanyl)-ethylamino]-5-thiophen-2-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:

: 15690-25-2,51019-83-1,1124-65-8
3-(2-thienyl)acrylic acid

: 71351-13-8
2-[2-(5-Methyl-1H-imidazol-4-ylmethylsulfanyl)-ethylamino]-5-thiophen-2-ylmethyl-1H-pyrimidin-4-one; hydrobromide

Guidance literature:: Multi-step reaction with 6 steps

1: 84 percent / H₂ / 10percent Pd/C / methanol / 50 °C / 2585.7 Torr

2: 74 percent / conc. H₂SO₄

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

4: ethanol / 7 h / Heating

5: 89 percent / NaOH / H₂O; ethanol / 60 °C

6: 68 percent / 2.) 2 N HBr / 5 h / 145 - 150 °C

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

Reference yield:

: 5928-51-8
3-(2-thienyl)propanoic acid

: 71351-13-8
2-[2-(5-Methyl-1H-imidazol-4-ylmethylsulfanyl)-ethylamino]-5-thiophen-2-ylmethyl-1H-pyrimidin-4-one; hydrobromide

Guidance literature:: Multi-step reaction with 5 steps

1: 74 percent / conc. H₂SO₄

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

3: ethanol / 7 h / Heating

4: 89 percent / NaOH / H₂O; ethanol / 60 °C

5: 68 percent / 2.) 2 N HBr / 5 h / 145 - 150 °C

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