5-Ethyl-1-((4-methylbenzyloxy)methyl)-6-(phenylthio)-2-thiouracil

Base Information

Chemical Name:5-Ethyl-1-((4-methylbenzyloxy)methyl)-6-(phenylthio)-2-thiouracil
CAS No.:136160-28-6
Molecular Formula:C₂₁H₂₂N₂O₂S₂
Molecular Weight:398.55
Hs Code.:
DSSTox Substance ID:DTXSID40159708
Nikkaji Number:J522.699F
ChEMBL ID:CHEMBL135444
Mol file:136160-28-6.mol

Synonyms:1-MeBzOMe-6PhS-5Et2thio U;136160-28-6;5-Ethyl-1-((4-methylbenzyloxy)methyl)-6-(phenylthio)-2-thiouracil;CHEMBL135444;5-Ethyl-1-(((4-methylbenzyl)oxy)methyl)-6-(phenylthio)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one;5-Ethyl-1-[(4-methylbenzyloxy)methyl]-6-(phenylthio)-2-thiouracil;DTXSID40159708;BDBM50004128;1-[(4-Methylbenzyloxy)methyl]-5-ethyl-6-(phenylthio)thiouracil;5-ethyl-6-phenylsulfanyl-1-(p-tolylmethoxymethyl)-2-thioxo-pyrimidin-4-one;5-Ethyl-1-(4-methyl-benzyloxymethyl)-6-phenylsulfanyl-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one

Suppliers and Price of 5-Ethyl-1-((4-methylbenzyloxy)methyl)-6-(phenylthio)-2-thiouracil

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 5-Ethyl-1-((4-methylbenzyloxy)methyl)-6-(phenylthio)-2-thiouracil

Chemical Property:

Density:1.29g/cm³
XLogP3:4.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:398.11227030
Heavy Atom Count:27
Complexity:565

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC1=C(N(C(=S)NC1=O)COCC2=CC=C(C=C2)C)SC3=CC=CC=C3

Technology Process of 5-Ethyl-1-((4-methylbenzyloxy)methyl)-6-(phenylthio)-2-thiouracil

There total 3 articles about 5-Ethyl-1-((4-methylbenzyloxy)methyl)-6-(phenylthio)-2-thiouracil 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:

: 34171-37-4
5-ethyl-2-thiouracil

: 136160-28-6
5-Ethyl-1-(4-methyl-benzyloxymethyl)-6-phenylsulfanyl-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) (NH₄)2SO₄, 1,1,1,3,3,3-hexamethyldisilazane, 2.) CsI / 1.) reflux, 15 h, 2.) MeCN, reflux, 2 h

2: 1.) lithium diisopropylamide (LDA) / 1.) THF, -70 deg C, 1 h, 2.) THF, -70 deg C, 1 h

With ammonium sulfate; isocyanate de chlorosulfonyle; 1,1,1,3,3,3-hexamethyl-disilazane; lithium diisopropyl amide;
DOI:10.1021/jm00103a009

Reference yield:

: 100944-91-0
1-(chloromethoxymethyl)-4-methylbenzene

: 136160-28-6
5-Ethyl-1-(4-methyl-benzyloxymethyl)-6-phenylsulfanyl-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) (NH₄)2SO₄, 1,1,1,3,3,3-hexamethyldisilazane, 2.) CsI / 1.) reflux, 15 h, 2.) MeCN, reflux, 2 h

2: 1.) lithium diisopropylamide (LDA) / 1.) THF, -70 deg C, 1 h, 2.) THF, -70 deg C, 1 h

With ammonium sulfate; isocyanate de chlorosulfonyle; 1,1,1,3,3,3-hexamethyl-disilazane; lithium diisopropyl amide;
DOI:10.1021/jm00103a009

Reference yield:

: 144410-18-4
5-Ethyl-1-(4-methyl-benzyloxymethyl)-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one

: 882-33-7
diphenyldisulfane

: 136160-28-6
5-Ethyl-1-(4-methyl-benzyloxymethyl)-6-phenylsulfanyl-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one

Guidance literature:: With lithium diisopropyl amide; Yield given. Multistep reaction; 1.) THF, -70 deg C, 1 h, 2.) THF, -70 deg C, 1 h;
DOI:10.1021/jm00103a009