1,3-Dimethyl-5-(2-phenylethynyl)-2,4(1H,3H)-pyrimidinedione

Base Information

Chemical Name:1,3-Dimethyl-5-(2-phenylethynyl)-2,4(1H,3H)-pyrimidinedione
CAS No.:109856-23-7
Molecular Formula:C14H12N2O2
Molecular Weight:240.25728
Hs Code.:
DSSTox Substance ID:DTXSID60447316
Nikkaji Number:J1.052.190D
Wikidata:Q82266174
Mol file:109856-23-7.mol

Synonyms:1,3-Dimethyl-5-(2-phenylethynyl)-2,4(1H,3H)-pyrimidinedione;109856-23-7;1,3-dimethyl-5-(2-phenylethynyl)pyrimidine-2,4-dione;1,3-Dimethyl-5-(phenylethynyl)uracil;DTXSID60447316;FT-0768924

Suppliers and Price of 1,3-Dimethyl-5-(2-phenylethynyl)-2,4(1H,3H)-pyrimidinedione

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 3 raw suppliers

Chemical Property of 1,3-Dimethyl-5-(2-phenylethynyl)-2,4(1H,3H)-pyrimidinedione

Chemical Property:

PSA：44.00000
LogP:0.48380
XLogP3:1.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:240.089877630
Heavy Atom Count:18
Complexity:461

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C=C(C(=O)N(C1=O)C)C#CC2=CC=CC=C2

Technology Process of 1,3-Dimethyl-5-(2-phenylethynyl)-2,4(1H,3H)-pyrimidinedione

There total 3 articles about 1,3-Dimethyl-5-(2-phenylethynyl)-2,4(1H,3H)-pyrimidinedione 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: 83.0%

: 109856-16-8
N,N'-dimethyl-5-trifluoromethanesulfonyloxyuracil

: 536-74-3
phenylacetylene

: 109856-23-7
1,3-Dimethyl-5-phenylethynyl-1H-pyrimidine-2,4-dione

Guidance literature:: With palladium diacetate; triethylamine; triphenylphosphine; copper(l) iodide; at 60 - 70 ℃; for 3h;
DOI:10.3987/R-1987-02-0355

Reference yield: 57.0%

: 3757-88-8
tributylstannylethynylbenzene

: (1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(phenyl)iodonium trifluoromethanesulfonate

: 109856-23-7
1,3-Dimethyl-5-phenylethynyl-1H-pyrimidine-2,4-dione

Guidance literature:: With triphenyl-arsane; palladium diacetate; In tetrahydrofuran; at 20 ℃; for 0.5h;
DOI:10.1016/S0040-4039(98)02491-5

Reference yield:

: 20406-86-4
1,3-dimethyl-5-hydroxyuracil

: 109856-23-7
1,3-Dimethyl-5-phenylethynyl-1H-pyrimidine-2,4-dione

Guidance literature:: Multi-step reaction with 2 steps

1: 99 percent / pyridine

2: 83 percent / palladium acetate, triphenylphosphine, triethylamine / copper iodide / 3 h / 60 - 70 °C

With palladium diacetate; triethylamine; triphenylphosphine; copper(l) iodide; In pyridine;
DOI:10.3987/R-1987-02-0355