Benzoic acid, 2-[[(1,4-dioxopentyl)oxy]methyl]-5-methoxy-

Base Information

Chemical Name:Benzoic acid, 2-[[(1,4-dioxopentyl)oxy]methyl]-5-methoxy-
CAS No.:647844-38-0
Molecular Formula:C14H16O6
Molecular Weight:280.277
Hs Code.:
DSSTox Substance ID:DTXSID00477238
Wikidata:Q82309588

Synonyms:Benzoic acid, 2-[[(1,4-dioxopentyl)oxy]methyl]-5-methoxy-;647844-38-0;DTXSID00477238

Suppliers and Price of Benzoic acid, 2-[[(1,4-dioxopentyl)oxy]methyl]-5-methoxy-

Supply Marketing:

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

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Chemical Property of Benzoic acid, 2-[[(1,4-dioxopentyl)oxy]methyl]-5-methoxy-

Chemical Property:

XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:280.09468823
Heavy Atom Count:20
Complexity:365

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)CCC(=O)OCC1=C(C=C(C=C1)OC)C(=O)O

Technology Process of Benzoic acid, 2-[[(1,4-dioxopentyl)oxy]methyl]-5-methoxy-

There total 3 articles about Benzoic acid, 2-[[(1,4-dioxopentyl)oxy]methyl]-5-methoxy- 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: 64.0%

: 40608-06-8
levulinic anhydride

: 647844-37-9
2-(hydroxymethyl)-5-methoxybenzoic acid

: 647844-38-0
2-(levulinyloxymethyl)-5-methoxybenzoic acid

Guidance literature:: With 1-methyl-1H-imidazole; In 1,4-dioxane; at 20 ℃; for 1h;
DOI:10.1081/NCN-120022056

Reference yield:

: 586-38-9
3-Methoxybenzoic acid

: 647844-38-0
2-(levulinyloxymethyl)-5-methoxybenzoic acid

Guidance literature:: Multi-step reaction with 3 steps

1: aq. HCl / dioxane / 72 h / 50 - 55 °C

2: aq. KOH / methanol / 0.5 h / 55 °C

3: 1-methylimidazole / dioxane / 1 h / 20 °C

With 1-methyl-1H-imidazole; hydrogenchloride; potassium hydroxide; In 1,4-dioxane; methanol;
DOI:10.1081/NCN-120022725

Reference yield:

: 123-76-2
levulinic acid

: 647844-38-0
2-(levulinyloxymethyl)-5-methoxybenzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: N,N'-dicyclohexylcarbodiimide / dioxane / 3 h / 20 °C

2: 64 percent / 1-methylimidazole / dioxane / 1 h / 20 °C

With 1-methyl-1H-imidazole; dicyclohexyl-carbodiimide; In 1,4-dioxane;
DOI:10.1081/NCN-120022056