1-(4-Methoxyphenyl)-5-phenylpenta-1,4-diyn-3-one

Base Information

Chemical Name:1-(4-Methoxyphenyl)-5-phenylpenta-1,4-diyn-3-one
CAS No.:109034-34-6
Molecular Formula:C18H12O2
Molecular Weight:260.292
Hs Code.:
DSSTox Substance ID:DTXSID70550284
Wikidata:Q82429547
Mol file:109034-34-6.mol

Synonyms:109034-34-6;1-(4-Methoxyphenyl)-5-phenylpenta-1,4-diyn-3-one;SCHEMBL6241316;DTXSID70550284

Suppliers and Price of 1-(4-Methoxyphenyl)-5-phenylpenta-1,4-diyn-3-one

Supply Marketing:

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

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Chemical Property of 1-(4-Methoxyphenyl)-5-phenylpenta-1,4-diyn-3-one

Chemical Property:

XLogP3:4.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:260.083729621
Heavy Atom Count:20
Complexity:451

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC=C(C=C1)C#CC(=O)C#CC2=CC=CC=C2

Technology Process of 1-(4-Methoxyphenyl)-5-phenylpenta-1,4-diyn-3-one

There total 13 articles about 1-(4-Methoxyphenyl)-5-phenylpenta-1,4-diyn-3-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: 86.0%

: 109034-29-9
1-(4-methoxyphenyl)-5-phenyl-1,4-pentadiyn-3-ol

: 109034-34-6
1-(4-methoxyphenyl)-5-phenyl-1,4-pentadiyn-3-one

Guidance literature:: With manganese(IV) oxide; In dichloromethane; at 20 ℃; for 16h;
DOI:10.1021/acs.orglett.0c02892

Reference yield: 54.0%

: 132960-13-5
N-methoxy-N-methyl-3-phenyl-2-propynamide

: 768-60-5
4-methoxyphenylacetylen

: 109034-34-6
1-(4-methoxyphenyl)-5-phenyl-1,4-pentadiyn-3-one

Guidance literature:: 4-methoxyphenylacetylen; With lithium diisopropyl amide; In tetrahydrofuran; at -78 - 20 ℃; Inert atmosphere;

N-methoxy-N-methyl-3-phenyl-2-propynamide; In tetrahydrofuran; at -78 - 20 ℃; Inert atmosphere;
DOI:10.1021/ol400815y

Reference yield:

: 1504-58-1
3-Phenyl-2-propyn-1-ol

: 109034-34-6
1-(4-methoxyphenyl)-5-phenyl-1,4-pentadiyn-3-one

Guidance literature:: Multi-step reaction with 3 steps

1.1: manganese(IV) oxide / dichloromethane / 20 °C

2.1: n-butyllithium / tetrahydrofuran; hexane / 0.25 h / 0 °C / Inert atmosphere

2.2: Inert atmosphere

3.1: manganese(IV) oxide / dichloromethane / 20 °C

With manganese(IV) oxide; n-butyllithium; In tetrahydrofuran; hexane; dichloromethane;
DOI:10.1021/jo402055a