4(1H)-Pyrimidinone, 2,3-dihydro-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)-2-thioxo-

Base Information

Chemical Name:4(1H)-Pyrimidinone, 2,3-dihydro-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)-2-thioxo-
CAS No.:125057-06-9
Molecular Formula:C13H14 N2 O3 S2
Molecular Weight:310.3919
Hs Code.:
DSSTox Substance ID:DTXSID50154623
Nikkaji Number:J377.566F
ChEMBL ID:CHEMBL282795
Mol file:125057-06-9.mol

Synonyms:125057-06-9;HEPT-U;4(1H)-Pyrimidinone, 2,3-dihydro-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)-2-thioxo-;1-((2-Hydroxyethoxy)methyl)-6-(phenylthio)-2-thiouracil;1-((2-Hydroxyethoxy)methyl)-6-(phenylthio)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one;1-[(2-Hydroxyethoxy)methyl]-6-(phenylthio)-2-thiouracil;4(1H)-Pyrimidinone, 2,3-dihydro-1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)-2-thioxo-;CHEMBL282795;DTXSID50154623;1-(2-hydroxyethoxymethyl)-6-phenylsulfanyl-2-thioxo-pyrimidin-4-one;1,2-Dihydro-1-[(2-hydroxyethoxy)methyl]-6-phenylthio-2-thioxopyrimidin-4(3H)-one

Suppliers and Price of 4(1H)-Pyrimidinone, 2,3-dihydro-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)-2-thioxo-

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 2 raw suppliers

Chemical Property of 4(1H)-Pyrimidinone, 2,3-dihydro-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)-2-thioxo-

Chemical Property:

Density:1.45g/cm³
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:310.04458466
Heavy Atom Count:20
Complexity:395

Purity/Quality:: 98%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)SC2=CC(=O)NC(=S)N2COCCO

Technology Process of 4(1H)-Pyrimidinone, 2,3-dihydro-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)-2-thioxo-

There total 3 articles about 4(1H)-Pyrimidinone, 2,3-dihydro-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)-2-thioxo- 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: 74.0%

: 125057-24-1
1-<<2-<(tert-butyldimethylsilyl)oxy>ethoxy>methyl>-6-(phenylthio)-2-thiouracil

: 125057-06-9
1-(2-Hydroxy-ethoxymethyl)-6-phenylsulfanyl-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one

Guidance literature:: With acetic acid; In tetrahydrofuran; for 14h; Ambient temperature;
DOI:10.1021/jm00108a023

Reference yield:

: 125057-23-0
1-<<2-<(tert-butyldimethylsilyl)oxy>ethoxy>methyl>-2-thiouracil

: 125057-06-9
1-(2-Hydroxy-ethoxymethyl)-6-phenylsulfanyl-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) LDA / 1.) THF, -70 deg C, 1 h, 2.) -70 deg C, 15 min

2: 74 percent / aq. AcOH / tetrahydrofuran / 14 h / Ambient temperature

With acetic acid; lithium diisopropyl amide; In tetrahydrofuran;
DOI:10.1021/jm00108a023

Reference yield:

: 116457-79-5
1-(2-acetoxyethoxy methyl)-2-thiouracil

: 125057-06-9
1-(2-Hydroxy-ethoxymethyl)-6-phenylsulfanyl-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one

Guidance literature:: Multi-step reaction with 4 steps

1: 92 percent / 1 N NaOH / ethanol / 0.17 h / Ambient temperature

2: 69 percent / imidazole / dimethylformamide / 14 h / Ambient temperature

3: 1.) LDA / 1.) THF, -70 deg C, 1 h, 2.) -70 deg C, 15 min

4: 74 percent / aq. AcOH / tetrahydrofuran / 14 h / Ambient temperature

With 1H-imidazole; sodium hydroxide; acetic acid; lithium diisopropyl amide; In tetrahydrofuran; ethanol; N,N-dimethyl-formamide;
DOI:10.1021/jm00108a023