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

Base Information

Chemical Name:Benzoic acid, 2-[[(1,4-dioxopentyl)oxy]methyl]-5-methoxy-4-nitro-
CAS No.:514205-94-8
Molecular Formula:C14H15NO8
Molecular Weight:325.275
Hs Code.:
DSSTox Substance ID:DTXSID40477232
Wikidata:Q82309578

Synonyms:514205-94-8;Benzoic acid, 2-[[(1,4-dioxopentyl)oxy]methyl]-5-methoxy-4-nitro-;SCHEMBL291907;DTXSID40477232

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

Supply Marketing:

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

Manufacturers and distributors:

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

Chemical Property:

XLogP3:0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:325.07976644
Heavy Atom Count:23
Complexity:472

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)CCC(=O)OCC1=CC(=C(C=C1C(=O)O)OC)[N+](=O)[O-]

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

There total 6 articles about Benzoic acid, 2-[[(1,4-dioxopentyl)oxy]methyl]-5-methoxy-4-nitro- 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: 34.0%

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

: 514205-93-7
6-(levulinyloxymethyl)-3-methoxy-2-nitrobenzoic acid

: 514205-94-8
2-(levulinyloxymethyl)-5-methoxy-4-nitrobenzoic acid

Guidance literature:: With sulfuric acid; nitric acid; for 0.333333h; cooling;
DOI:10.1081/NCN-120022056

Reference yield:

: 4741-63-3
6-methoxyphthalide

: 514205-94-8
2-(levulinyloxymethyl)-5-methoxy-4-nitrobenzoic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 2.49 g / KOH / methanol; H₂O / 0.5 h / 50 °C

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

3: 21 percent / HNO₃; H₂SO₄ / 0.33 h / cooling

With 1-methyl-1H-imidazole; potassium hydroxide; sulfuric acid; nitric acid; In 1,4-dioxane; methanol; water;
DOI:10.1081/NCN-120022056

Reference yield:

: 40608-06-8
levulinic anhydride

: 514205-94-8
2-(levulinyloxymethyl)-5-methoxy-4-nitrobenzoic acid

Guidance literature:: Multi-step reaction with 2 steps

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

2: 21 percent / HNO₃; H₂SO₄ / 0.33 h / cooling

With 1-methyl-1H-imidazole; sulfuric acid; nitric acid; In 1,4-dioxane;
DOI:10.1081/NCN-120022056