Benzeneacetic acid, 3,4-dihydroxy-5-nitro-alpha-oxo-, ethyl ester

Base Information

Chemical Name:Benzeneacetic acid, 3,4-dihydroxy-5-nitro-alpha-oxo-, ethyl ester
CAS No.:125629-04-1
Molecular Formula:C10H9 N O7
Molecular Weight:255.181
Hs Code.:
DSSTox Substance ID:DTXSID20154817
Wikidata:Q83022164

Synonyms:125629-04-1;Ethyl 3,4-dihydroxy-5-nitro-alpha-oxobenzeneacetate;Benzeneacetic acid, 3,4-dihydroxy-5-nitro-alpha-oxo-, ethyl ester;ethyl 3,4-dihydroxy-5-nitrophenylglyoxylate;SCHEMBL8726106;DTXSID20154817;ACPFYBYFZMSBCK-UHFFFAOYSA-N;LS-28753;ethyl 3,4-dihydroxy-5-nitro-phenylglyoxylate

Suppliers and Price of Benzeneacetic acid, 3,4-dihydroxy-5-nitro-alpha-oxo-, ethyl ester

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 4 raw suppliers

Chemical Property of Benzeneacetic acid, 3,4-dihydroxy-5-nitro-alpha-oxo-, ethyl ester

Chemical Property:

Vapor Pressure:3.59E-08mmHg at 25°C
Boiling Point:434.9°Cat760mmHg
Flash Point:216.8°C
Density:1.535g/cm³
XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:255.03790163
Heavy Atom Count:18
Complexity:351

Purity/Quality:: 98%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Benzeneacetic acid, 3,4-dihydroxy-5-nitro-alpha-oxo-, ethyl ester

There total 4 articles about Benzeneacetic acid, 3,4-dihydroxy-5-nitro-alpha-oxo-, ethyl ester 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: 70.6%

: 125629-37-0
ethyl (4-hydroxy-3-methoxy-5-nitrobenzoyl)carboxylate

: 125629-04-1
ethyl (3,4-dihydroxy-5-nitrobenzoyl)carboxylate

Guidance literature:: With tetrachlorosilane; sodium iodide; In toluene; acetonitrile; for 47h; Heating;
DOI:10.1002/hlca.19890720511

Reference yield:

: 7440-44-0
pyrographite

: 125629-37-0
ethyl (4-hydroxy-3-methoxy-5-nitrobenzoyl)carboxylate

: 125629-04-1
ethyl (3,4-dihydroxy-5-nitrobenzoyl)carboxylate

Guidance literature:: With sodium iodide; tetrachlorosilane; In toluene; acetonitrile;

Reference yield:

: 69638-06-8
α-bromo-3-methoxy-4-hydroxyacetophenone

: 125629-04-1
ethyl (3,4-dihydroxy-5-nitrobenzoyl)carboxylate

Guidance literature:: Multi-step reaction with 3 steps

1: 72.1 percent / 96percent HNO₃ / acetic acid / 1.5 h / Ambient temperature

2: 90.1 percent / SeO₂ / 17 h / Heating

3: 70.6 percent / NaI, SiCl₄ / acetonitrile; toluene / 47 h / Heating

With selenium(IV) oxide; tetrachlorosilane; nitric acid; sodium iodide; In acetic acid; toluene; acetonitrile;
DOI:10.1002/hlca.19890720511