4-Methoxy-3-[(2-oxobut-3-en-1-yl)oxy]benzonitrile

Base Information

Chemical Name:4-Methoxy-3-[(2-oxobut-3-en-1-yl)oxy]benzonitrile
CAS No.:62787-67-1
Molecular Formula:C12H11NO3
Molecular Weight:217.224
Hs Code.:
DSSTox Substance ID:DTXSID60497114
Wikidata:Q82346487

Synonyms:62787-67-1;4-Methoxy-3-[(2-oxobut-3-en-1-yl)oxy]benzonitrile;DTXSID60497114

Suppliers and Price of 4-Methoxy-3-[(2-oxobut-3-en-1-yl)oxy]benzonitrile

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-3-[(2-oxobut-3-en-1-yl)oxy]benzonitrile

Chemical Property:

XLogP3:1.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:217.07389321
Heavy Atom Count:16
Complexity:305

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C(C=C(C=C1)C#N)OCC(=O)C=C

Technology Process of 4-Methoxy-3-[(2-oxobut-3-en-1-yl)oxy]benzonitrile

There total 4 articles about 4-Methoxy-3-[(2-oxobut-3-en-1-yl)oxy]benzonitrile 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:

: 3-(2-Hydroxy-but-3-enyloxy)-4-methoxy-benzonitrile

: 62787-67-1
2-Methoxy-5-cyanophenoxymethylvinylketon

Guidance literature:: With sodium dichromate; sulfuric acid; In acetone; at 0 ℃; for 0.0833333h;
DOI:10.1021/jo00202a014

Reference yield:

: 4-Methoxy-3-(2-oxo-ethoxy)-benzonitrile

: 62787-67-1
2-Methoxy-5-cyanophenoxymethylvinylketon

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) Mg / 1.) THF, 2 h, 2.) RT, 30 min

2: Na₂Cr₂O₇/H₂SO₄ (Jones reagent) / acetone / 0.08 h / 0 °C

With sodium dichromate; sulfuric acid; magnesium; In acetone;
DOI:10.1021/jo00202a014

Reference yield:

: 3-(2,2-Diethoxy-ethoxy)-4-methoxy-benzonitrile

: 62787-67-1
2-Methoxy-5-cyanophenoxymethylvinylketon

Guidance literature:: Multi-step reaction with 3 steps

1: perchloric acid / tetrahydrofuran; H₂O / Heating

2: 1.) Mg / 1.) THF, 2 h, 2.) RT, 30 min

3: Na₂Cr₂O₇/H₂SO₄ (Jones reagent) / acetone / 0.08 h / 0 °C

With perchloric acid; sodium dichromate; sulfuric acid; magnesium; In tetrahydrofuran; water; acetone;
DOI:10.1021/jo00202a014