4-Methoxy-4-methyl-1-(4-nitrophenyl)pent-2-yn-1-one

Base Information

Chemical Name:4-Methoxy-4-methyl-1-(4-nitrophenyl)pent-2-yn-1-one
CAS No.:89154-38-1
Molecular Formula:C13H13NO4
Molecular Weight:247.251
Hs Code.:
DSSTox Substance ID:DTXSID40562036
Wikidata:Q82446011

Synonyms:89154-38-1;4-Methoxy-4-methyl-1-(4-nitrophenyl)pent-2-yn-1-one;DTXSID40562036

Suppliers and Price of 4-Methoxy-4-methyl-1-(4-nitrophenyl)pent-2-yn-1-one

Supply Marketing:

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

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Chemical Property of 4-Methoxy-4-methyl-1-(4-nitrophenyl)pent-2-yn-1-one

Chemical Property:

XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:247.08445790
Heavy Atom Count:18
Complexity:388

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C#CC(=O)C1=CC=C(C=C1)[N+](=O)[O-])OC

Technology Process of 4-Methoxy-4-methyl-1-(4-nitrophenyl)pent-2-yn-1-one

There total 1 articles about 4-Methoxy-4-methyl-1-(4-nitrophenyl)pent-2-yn-1-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: 77.0%

: 122-04-3
4-nitro-benzoyl chloride

: 13994-57-5
3-methoxy-3-methylbut-1-yne

: 89154-38-1
4-Methoxy-4-methyl-1-(4-nitro-phenyl)-pent-2-yn-1-one

Guidance literature:: With triethylamine; copper(l) chloride; bis-triphenylphosphine-palladium(II) chloride; In toluene; at 60 ℃; for 3h;
DOI:10.1007/BF00958259

Reference yield: 85.0%

: 89154-38-1
4-Methoxy-4-methyl-1-(4-nitro-phenyl)-pent-2-yn-1-one

: 109-89-7
diethylamine

: 131293-15-7
(Z)-3-Diethylamino-4-methoxy-4-methyl-1-(4-nitro-phenyl)-pent-2-en-1-one

Guidance literature:: In benzene;
DOI:10.1007/BF00958259

Reference yield:

: 89154-38-1
4-Methoxy-4-methyl-1-(4-nitro-phenyl)-pent-2-yn-1-one

: 131293-10-2
4-Methoxy-4-methyl-1-(4-nitro-phenyl)-pent-1-yn-3-one

Guidance literature:: Multi-step reaction with 2 steps

1: 85 percent / benzene

2: 1.) POCl₃, 2.) 5percent aq. NaOH / 1.) dioxane

With sodium hydroxide; trichlorophosphate; In benzene;
DOI:10.1007/BF00958259