5,6-Diethyl-2-phenyl-3-(prop-2-yn-1-yl)pyrimidin-4(3H)-one

Base Information

Chemical Name:5,6-Diethyl-2-phenyl-3-(prop-2-yn-1-yl)pyrimidin-4(3H)-one
CAS No.:158713-50-9
Molecular Formula:C17H18N2O
Molecular Weight:266.343
Hs Code.:
DSSTox Substance ID:DTXSID60599223
Nikkaji Number:J1.488.438F
Wikidata:Q82495099
Mol file:158713-50-9.mol

Synonyms:158713-50-9;5,6-Diethyl-2-phenyl-3-(prop-2-yn-1-yl)pyrimidin-4(3H)-one;SCHEMBL8678382;DTXSID60599223

Suppliers and Price of 5,6-Diethyl-2-phenyl-3-(prop-2-yn-1-yl)pyrimidin-4(3H)-one

Supply Marketing:

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

Manufacturers and distributors:

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Chemicals and raw materials
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Total 1 raw suppliers

Chemical Property of 5,6-Diethyl-2-phenyl-3-(prop-2-yn-1-yl)pyrimidin-4(3H)-one

Chemical Property:

XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:266.141913202
Heavy Atom Count:20
Complexity:486

Purity/Quality:: 99.90% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC1=C(N=C(N(C1=O)CC#C)C2=CC=CC=C2)CC

Technology Process of 5,6-Diethyl-2-phenyl-3-(prop-2-yn-1-yl)pyrimidin-4(3H)-one

There total 3 articles about 5,6-Diethyl-2-phenyl-3-(prop-2-yn-1-yl)pyrimidin-4(3H)-one 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: 36.0%

: 106-96-7
propargyl bromide

: 5,6-diethyl-2-phenyl-4(3H)-pyrimidinone

: 158713-50-9
5,6-diethyl-2-phenyl-3-(prop-2-ynyl)-4(3H)-pyrimidinone

Guidance literature:: With sodium methylate; In methanol; toluene; for 2h; Heating;
DOI:10.1016/S0040-4020(01)00042-4

Reference yield:

: 32493-32-6
methyl (2-ethyl)propionylacetate

: 158713-50-9
5,6-diethyl-2-phenyl-3-(prop-2-ynyl)-4(3H)-pyrimidinone

Guidance literature:: Multi-step reaction with 2 steps

1: 49 percent / NaOAc / xylene / 5.5 h / Heating

2: 36 percent / NaOMe / methanol; toluene / 2 h / Heating

With sodium methylate; sodium acetate; In methanol; toluene; xylene;
DOI:10.1016/S0040-4020(01)00042-4

Reference yield:

: 1670-14-0
benzamidine monohydrochloride

: 158713-50-9
5,6-diethyl-2-phenyl-3-(prop-2-ynyl)-4(3H)-pyrimidinone

Guidance literature:: Multi-step reaction with 2 steps

1: 49 percent / NaOAc / xylene / 5.5 h / Heating

2: 36 percent / NaOMe / methanol; toluene / 2 h / Heating

With sodium methylate; sodium acetate; In methanol; toluene; xylene;
DOI:10.1016/S0040-4020(01)00042-4