4(1H)-Pyrimidinone, 5-((3-chlorophenyl)methyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-, dihydrochloride

Base Information

Chemical Name:4(1H)-Pyrimidinone, 5-((3-chlorophenyl)methyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-, dihydrochloride
CAS No.:63204-15-9
Molecular Formula:C₁₈H₂₀ClN₅OS*2ClH
Molecular Weight:462.831
Hs Code.:
DSSTox Substance ID:DTXSID40212569

Synonyms:4(1H)-Pyrimidinone, 5-((3-chlorophenyl)methyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-, dihydrochloride;63204-15-9;C18H20ClN5OS.2ClH;SCHEMBL11448880;DTXSID40212569;C18-H20-Cl-N5-O-S.2Cl-H;LS-135872

Suppliers and Price of 4(1H)-Pyrimidinone, 5-((3-chlorophenyl)methyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-, dihydrochloride

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, 5-((3-chlorophenyl)methyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-, dihydrochloride

Chemical Property:

Vapor Pressure:2.41E-18mmHg at 25°C
Boiling Point:672.9°Cat760mmHg
Flash Point:360.7°C
Density:g/cm³
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:461.061065
Heavy Atom Count:28
Complexity:556

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=C3)Cl.Cl.Cl

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

There total 7 articles about 4(1H)-Pyrimidinone, 5-((3-chlorophenyl)methyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-, dihydrochloride 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: 58.0%

: 63204-33-1
5-(3-chlorobenzyl)-2-methylthio-4-pyrimidone

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

: 63204-15-9
2-[2-(5-Methyl-4-imidazolylmethylthio)ethylamino]-5-(3-chlorobenzyl)-4-pyrimidone dihydrochloride

Guidance literature:: at 140 - 150 ℃; for 5h;
DOI:10.1016/0223-5234(88)90167-5

Reference yield:

: 2373-88-8,118315-76-7,62174-98-5
ethyl (E)-3-(3-chlorophenyl)prop-2-enoate

: 63204-15-9
2-[2-(5-Methyl-4-imidazolylmethylthio)ethylamino]-5-(3-chlorobenzyl)-4-pyrimidone dihydrochloride

Guidance literature:: Multi-step reaction with 5 steps

1: hydrogen / 5percent Pd/C / ethanol

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

3: ethanol / 7 h / Heating

4: 83 percent / aq. NaOH / ethanol / 60 °C

5: 58 percent / 5 h / 140 - 150 °C

With sodium hydroxide; hydrogen; sodium; palladium on activated charcoal; In diethyl ether; ethanol;
DOI:10.1016/0223-5234(88)90167-5

Reference yield:

: 587-04-2
m-Chlorobenzaldehyde

: 63204-15-9
2-[2-(5-Methyl-4-imidazolylmethylthio)ethylamino]-5-(3-chlorobenzyl)-4-pyrimidone dihydrochloride

Guidance literature:: Multi-step reaction with 6 steps

1: 1) piperidine, 2) conc. H₂SO₄ / 1) pyridine

2: hydrogen / 5percent Pd/C / ethanol

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

4: ethanol / 7 h / Heating

5: 83 percent / aq. NaOH / ethanol / 60 °C

6: 58 percent / 5 h / 140 - 150 °C

With piperidine; sodium hydroxide; sulfuric acid; hydrogen; sodium; palladium on activated charcoal; In diethyl ether; ethanol;
DOI:10.1016/0223-5234(88)90167-5