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

Base Information

Chemical Name:4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(phenylmethyl)-, dihydrochloride
CAS No.:116608-81-2
Molecular Formula:C₁₈H₂₁N₅OS*2ClH
Molecular Weight:428.386
Hs Code.:
DSSTox Substance ID:DTXSID20151442

Synonyms:5-Benzyl-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-4(1H)-pyrimidinone 2HCl;4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(phenylmethyl)-, dihydrochloride;116608-81-2;C18H21N5OS.2ClH;DTXSID20151442;C18-H21-N5-O-S.2Cl-H;LS-135972

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

Chemical Property:

Vapor Pressure:2.6E-17mmHg at 25°C
Boiling Point:653.4°Cat760mmHg
Flash Point:348.9°C
Density:g/cm³
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:427.1000369
Heavy Atom Count:27
Complexity:516

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

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

There total 3 articles about 4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(phenylmethyl)-, 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: 64.0%

: 73717-80-3
5-benzyl-2-(methylthio)pyrimidine-4(1H)-one

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

: 116608-81-2
SKF 92693 dihydrochloride

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

Reference yield:

: 25912-36-1
5-benzyl-2-tioxo-2,3-dihydro-pyrimidine-4(1H)-one

: 116608-81-2
SKF 92693 dihydrochloride

Guidance literature:: Multi-step reaction with 2 steps

1: 90 percent / aq. NaOH / ethanol / 60 °C

2: 64 percent / 5 h / 140 - 150 °C

With sodium hydroxide; In ethanol;
DOI:10.1016/0223-5234(88)90167-5

Reference yield:

: 98516-80-4,2016-00-4
ethyl 2-formyl-3-phenylpropionate

: 116608-81-2
SKF 92693 dihydrochloride

Guidance literature:: Multi-step reaction with 3 steps

1: NaOEt / ethanol / Heating

2: 90 percent / aq. NaOH / ethanol / 60 °C

3: 64 percent / 5 h / 140 - 150 °C

With sodium hydroxide; sodium ethanolate; In ethanol;
DOI:10.1016/0223-5234(88)90167-5