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

Base Information

Chemical Name:4(1H)-Pyrimidinone, 5-((4-chlorophenyl)methyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-
CAS No.:63204-14-8
Molecular Formula:C18H20ClN5OS
Molecular Weight:389.909
Hs Code.:
DSSTox Substance ID:DTXSID80212568
Wikidata:Q83087709

Synonyms:BRN 0716617;4(1H)-Pyrimidinone, 5-((4-chlorophenyl)methyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-;63204-14-8;C18H20ClN5OS;SCHEMBL11456506;DTXSID80212568;CKTMYAZYNITXCM-UHFFFAOYSA-N;C18-H20-Cl-N5-O-S;LS-135871;2-[2-(5-methyl-4-imidazolylmethylthio)ethylamino]-5-(4-chlorobenzyl)-4-pyrimidone

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

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

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
Density:1.38g/cm³
XLogP3:2.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:389.1077091
Heavy Atom Count:26
Complexity:548

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=C(C=C3)Cl

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

There total 8 articles about 4(1H)-Pyrimidinone, 5-((4-chlorophenyl)methyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)- 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: 62.0%

: 63204-28-4
5-(4-chlorobenzyl)-2-methylthiopyrimid-4-one

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

: 63204-14-8
5-(4-chloro-benzyl)-2-[2-(5-methyl-1⁽³⁾H-imidazol-4-ylmethylsulfanyl)-ethylamino]-1⁽³⁾H-pyrimidin-4-one

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

Reference yield:

: 24393-52-0
ethyl (E)-3-(4-chlorophenyl)prop-2-enoate

: 63204-14-8
5-(4-chloro-benzyl)-2-[2-(5-methyl-1⁽³⁾H-imidazol-4-ylmethylsulfanyl)-ethylamino]-1⁽³⁾H-pyrimidin-4-one

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: 62 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:

: 104-88-1
4-chlorobenzaldehyde

: 63204-14-8
5-(4-chloro-benzyl)-2-[2-(5-methyl-1⁽³⁾H-imidazol-4-ylmethylsulfanyl)-ethylamino]-1⁽³⁾H-pyrimidin-4-one

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: 62 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