5-(4-Chlorophenyl)pyrimidine-4,6-diol

Base Information

Chemical Name:5-(4-Chlorophenyl)pyrimidine-4,6-diol
CAS No.:3979-80-4
Molecular Formula:C10H7ClN2O2
Molecular Weight:222.62800
Hs Code.:
European Community (EC) Number:651-290-6
DSSTox Substance ID:DTXSID00393045
Wikidata:Q82191652
Mol file:3979-80-4.mol

Synonyms:5-(4-chlorophenyl)pyrimidine-4,6-diol;3979-80-4;5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one;4(1H)-Pyrimidinone, 5-(4-chlorophenyl)-6-hydroxy-;SCHEMBL4070584;DTXSID00393045;AZCIUNXJXVOJGZ-UHFFFAOYSA-N;AKOS017547701;AKOS024322417;5-(4-chlorophenyl)-4,6-pyrimidinediol;5-(4-chlorophenyl)-pyrimidine-4,6-diol;FT-0744092

Suppliers and Price of 5-(4-Chlorophenyl)pyrimidine-4,6-diol

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 6 raw suppliers

Chemical Property of 5-(4-Chlorophenyl)pyrimidine-4,6-diol

Chemical Property:

PKA:4.69±0.10(Predicted)
PSA：65.98000
Density:1.48±0.1 g/cm3(Predicted)
LogP:1.79590
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:222.0196052
Heavy Atom Count:15
Complexity:330

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C2=C(N=CNC2=O)O)Cl

Technology Process of 5-(4-Chlorophenyl)pyrimidine-4,6-diol

There total 4 articles about 5-(4-Chlorophenyl)pyrimidine-4,6-diol 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:

: 34402-92-1
2-(4-chlorophenyl)malonic acid dimethyl ester

: 6313-33-3
formamidine hydrochloride

: 3979-80-4
5-(4-chlorophenyl)pyrimidine-4,6-diol

Guidance literature:: With sodium hydroxide; sodium methylate; In hydrogenchloride; methanol;

Reference yield:

: 1878-66-6
4-chlorophenylacetic Acid

: 3979-80-4
5-(4-chlorophenyl)pyrimidine-4,6-diol

Guidance literature:: Multi-step reaction with 3 steps

1: 93 percent / conc. HCl / Heating

2: 64 percent / NaH / hexane; tetrahydrofuran / 60 °C

3: 81 percent / NaOMe / methanol / 60 °C

With hydrogenchloride; sodium methylate; sodium hydride; In tetrahydrofuran; methanol; hexane;
DOI:10.1016/j.bmc.2006.12.029

Reference yield:

: 52449-43-1
(4-chloro-phenyl)-acetic acid methyl ester

: 3979-80-4
5-(4-chlorophenyl)pyrimidine-4,6-diol

Guidance literature:: Multi-step reaction with 2 steps

1: 64 percent / NaH / hexane; tetrahydrofuran / 60 °C

2: 81 percent / NaOMe / methanol / 60 °C

With sodium methylate; sodium hydride; In tetrahydrofuran; methanol; hexane;
DOI:10.1016/j.bmc.2006.12.029