6-(4-Methoxyphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

Base Information

Chemical Name:6-(4-Methoxyphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CAS No.:70638-54-9
Molecular Formula:C12H9N3O2S
Molecular Weight:259.288
Hs Code.:2933599090
DSSTox Substance ID:DTXSID901137376
Nikkaji Number:J2.990.606H
Mol file:70638-54-9.mol

Synonyms:70638-54-9;6-(4-methoxyphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile;4-(4-methoxyphenyl)-6-oxo-2-sulfanyl-1,6-dihydropyrimidine-5-carbonitrile;1,2,3,4-Tetrahydro-6-(4-methoxyphenyl)-4-oxo-2-thioxo-5-pyrimidinecarbonitrile;6-(4-Methoxy-phenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5-carbonitrile;6-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carbonitrile;Oprea1_137257;Oprea1_284429;TQR955;SCHEMBL22867367;DTXSID901137376;NSC811209;STK728415;STK789439;STL267085;STL507480;6-(4-methoxyphenyl)-4-oxo-2-sulfanyl-1,4-dihydropyrimidine-5-carbonitrile;AKOS000270192;AKOS000444231;AKOS016879479;AKOS022118658;CCG-305717;NSC-811209;SB58301;CS-0236295;EN300-17011;SR-01000509739;SR-01000509739-1;Z56858199;4-hydroxy-6-(4-methoxyphenyl)-2-sulfanylpyrimidine-5-carbonitrile;2-mercapto-4-(4-methoxyphenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile;2-mercapto-4-(p-methoxyphenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile;2-Thioxo-5-cyano-6-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrimidine-4-one;6-(4-methoxyphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile

Suppliers and Price of 6-(4-Methoxyphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

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

American Custom Chemicals Corporation
6-(4-METHOXYPHENYL)-4-OXO-2-SULFANYLIDENE-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBONITRILE 95.00%
1G
$ 453.60

AK Scientific
6-(4-Methoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
2.5g
$ 892.00

Total 3 raw suppliers

Chemical Property of 6-(4-Methoxyphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

Chemical Property:

PSA：117.83000
LogP:2.01818
XLogP3:1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:259.04154771
Heavy Atom Count:18
Complexity:455

Purity/Quality:

99% ^*data from raw suppliers

6-(4-METHOXYPHENYL)-4-OXO-2-SULFANYLIDENE-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC1=CC=C(C=C1)C2=C(C(=O)NC(=S)N2)C#N

Technology Process of 6-(4-Methoxyphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

There total 10 articles about 6-(4-Methoxyphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile 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%

: 123-11-5
4-methoxy-benzaldehyde

: 17356-08-0
thiourea

: 105-56-6
ethyl 2-cyanoacetate

: 70638-54-9
5-cyano-4-oxo-6-(4-methoxyphenyl)-2-thioxo-1,2,3,4-tetrahydropyrimidine

Guidance literature:: With layered double hydroxide with 3 Mg/Al ratio incorporated with Co²⁺; In neat (no solvent); at 80 ℃; for 6h; Green chemistry;
DOI:10.1016/j.cattod.2020.12.029