benzofuran-3-one O-methyl oxime

Base Information

• Chemical Name: benzofuran-3-one O-methyl oxime
• CAS No.: 208711-58-4
• Molecular Formula: C9H9NO2
• Molecular Weight: 163.176
• DSSTox Substance ID: DTXSID901036150
• Mol file: 208711-58-4.mol

Synonyms:SCHEMBL6653939;benzofuran-3-one O-methyl oxime;benzofuran-3-one O-methyl-oxime;RKNNOQIDQDTNSB-UHFFFAOYSA-N;DTXSID901036150;3(2H)-Benzofuranone, O-methyloxime;Benzofuran-3(2H)-one O-methyl oxime;208711-58-4

Chemical Property of benzofuran-3-one O-methyl oxime

Chemical Property:

• Boiling Point: 252.4±43.0 °C(Predicted)
• PSA: 30.82000
• Density: 1.18±0.1 g/cm3(Predicted)
• LogP: 1.42950
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 163.063328530
• Heavy Atom Count: 12
• Complexity: 191

Purity/Quality:

3(2H)-BenzofuranoneO-methyloxime 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CON=C1COC2=CC=CC=C12

Technology Process of benzofuran-3-one O-methyl oxime

There total 9 articles about benzofuran-3-one O-methyl oxime 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: 89.2%

3-oxo-2,3-dihydrobenzo[b]furan (7169-34-8) + N-methoxylamine hydrochloride (593-56-6) → benzofuran-3(2H)-one O-methyl oxime (208711-58-4,208711-51-7)

Guidance literature:

With sodium acetate; In methanol; for 3h; Heating / reflux;

Reference yield: 82.8%

2-bromo-1-(2-hydroxy-phenyl)-ethanone O-methyl-oxime → benzofuran-3(2H)-one O-methyl oxime (208711-58-4,208711-51-7)

Guidance literature:

With sodium carbonate; In tert-butyl methyl ether; water; for 120h; Heating / reflux;

Reference yield: 42.0%

benzofuran-3(2H)-one oxime (82415-84-7) + dimethyl sulfate (77-78-1) → benzofuran-3(2H)-one O-methyl oxime (208711-58-4,208711-51-7)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 20 ℃; for 24h;

upstream raw materials:

benzofuran-3(2H)-one oxime

dimethyl sulfate

3-oxo-2,3-dihydrobenzo[b]furan

N-methoxylamine hydrochloride

Downstream raw materials:

(E)-(5,6-dihydro-[1,4,2]dioxazin-3-yl)-(2-hydroxyphenyl)-methanone O-methyloxime

E-(5,6-dihydro-[1,4,2]dioxazin-3-yl)-(2-hydroxy-phenyl)-methanone O-methyl-oxime

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