4(3H)-Pyrimidinone, 2-chloro-3-methyl-6-(4-pyridinyl)-

Base Information

Chemical Name:4(3H)-Pyrimidinone, 2-chloro-3-methyl-6-(4-pyridinyl)-
CAS No.:521969-44-8
Molecular Formula:C10H8ClN3O
Molecular Weight:221.646
Hs Code.:
DSSTox Substance ID:DTXSID70460910
Wikidata:Q82285086
Mol file:521969-44-8.mol

Synonyms:521969-44-8;4(3H)-Pyrimidinone, 2-chloro-3-methyl-6-(4-pyridinyl)-;2-chloro-3-methyl-6-(pyridin-4-yl)pyrimidin-4(3H)-one;2-chloro-3-methyl-6-pyridin-4-ylpyrimidin-4-one;2-Chloro-3-methyl-6-(4-pyridinyl)-4(3H)-pyrimidinone;2-chloro-3-methyl-6-(4-pyridyl)-3H-pyrimidin-4-one;SCHEMBL497227;DTXSID70460910;QUBIWSDNYCMADB-UHFFFAOYSA-N;AKOS015850646;A7666;FT-0750306;2-chloro-3-methyl-6-(4-pyridyl)pyrimidin-4-one;2-Chloro-3-methyl-6-(4-pyridyl)-pyrimidin-4-one;2-chloro-3-methyl-6-(4-pyridyl)-pyrimidine-4-one;2-chloro-3-methyl-6-pyridin-4-yl-3H-pyrimidin-4-one;2-chloro-3-methyl-6-(pyridin-4-yl)-3H-pyrimidin-4-one;2-chloro-1-methyl-6-oxo-4-(pyridin-4-yl)-1,6-dihydropyrimidine;2-chloro-3-methyl-4-oxo-6-(pyridin-4-yl)-3,4-dihydropyrimidine

Suppliers and Price of 4(3H)-Pyrimidinone, 2-chloro-3-methyl-6-(4-pyridinyl)-

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 5 raw suppliers

Chemical Property of 4(3H)-Pyrimidinone, 2-chloro-3-methyl-6-(4-pyridinyl)-

Chemical Property:

PSA：47.78000
LogP:1.49570
XLogP3:1.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:221.0355896
Heavy Atom Count:15
Complexity:332

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C(=O)C=C(N=C1Cl)C2=CC=NC=C2

Technology Process of 4(3H)-Pyrimidinone, 2-chloro-3-methyl-6-(4-pyridinyl)-

There total 6 articles about 4(3H)-Pyrimidinone, 2-chloro-3-methyl-6-(4-pyridinyl)- 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: 79.0%

: 521969-43-7
2-mercapto-3-methyl-6-pyridin-4-yl-3H-pyrimidin-4-one

: 521969-44-8
2-chloro-3-methyl-6-(pyridin-4-yl)pyrimidin-4(3H)-one

Guidance literature:: 2-mercapto-3-methyl-6-pyridin-4-yl-3H-pyrimidin-4-one; With trichlorophosphate; In N,N-dimethyl-formamide; at 20 - 70 ℃; for 4.08333h;

With sodium hydroxide; In water; pH=10;

Reference yield:

: 26377-17-3
ethyl 3-oxo-3-(4-pyridyl)propanoate

: 521969-44-8
2-chloro-3-methyl-6-(pyridin-4-yl)pyrimidin-4(3H)-one

Guidance literature:: Multi-step reaction with 2 steps

1: 1,8-diazabicyclo[5.4.0]undec-7-ene / ethanol / 80 °C

2: trichlorophosphate; N,N-dimethyl-formamide / dichloromethane / 60 °C

With 1,8-diazabicyclo[5.4.0]undec-7-ene; N,N-dimethyl-formamide; trichlorophosphate; In ethanol; dichloromethane;
DOI:10.1016/j.bmcl.2013.09.020

Reference yield:

: 55-22-1
pyridine-4-carboxylic acid

: 521969-44-8
2-chloro-3-methyl-6-(pyridin-4-yl)pyrimidin-4(3H)-one

Guidance literature:: Multi-step reaction with 3 steps

1: 1,1'-carbonyldiimidazole; magnesium chloride / tetrahydrofuran / 50 °C

2: 1,8-diazabicyclo[5.4.0]undec-7-ene / ethanol / 80 °C

3: trichlorophosphate; N,N-dimethyl-formamide / dichloromethane / 60 °C

With 1,8-diazabicyclo[5.4.0]undec-7-ene; N,N-dimethyl-formamide; 1,1'-carbonyldiimidazole; magnesium chloride; trichlorophosphate; In tetrahydrofuran; ethanol; dichloromethane;
DOI:10.1016/j.bmcl.2013.09.020