[3-[(2-Oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl)methoxy]phenyl]methyl 2-(5-acetyloxy-4-oxo-2-phenylchromen-7-yl)oxyacetate

Base Information

Chemical Name:[3-[(2-Oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl)methoxy]phenyl]methyl 2-(5-acetyloxy-4-oxo-2-phenylchromen-7-yl)oxyacetate
CAS No.:1245643-07-5
Molecular Formula:C₃₅H₂₆N₂O₁₀
Molecular Weight:634.599
Hs Code.:
ChEMBL ID:CHEMBL1668045

Synonyms:CHEMBL1668045;BDBM50336359;O5-acetyl-O7-Chrysin acetic acid [3-(4-phenyl-1,2,5-oxadiazole-2-oxide-3-)methoxyl]benzyl ester

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Chemical Property of [3-[(2-Oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl)methoxy]phenyl]methyl 2-(5-acetyloxy-4-oxo-2-phenylchromen-7-yl)oxyacetate

Chemical Property:

XLogP3:5.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:13
Exact Mass:634.15874503
Heavy Atom Count:47
Complexity:1110

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(=O)OC1=CC(=CC2=C1C(=O)C=C(O2)C3=CC=CC=C3)OCC(=O)OCC4=CC(=CC=C4)OCC5=[N+](ON=C5C6=CC=CC=C6)[O-]

Technology Process of [3-[(2-Oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl)methoxy]phenyl]methyl 2-(5-acetyloxy-4-oxo-2-phenylchromen-7-yl)oxyacetate

There total 9 articles about [3-[(2-Oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl)methoxy]phenyl]methyl 2-(5-acetyloxy-4-oxo-2-phenylchromen-7-yl)oxyacetate 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: 31.5%

: 1245648-48-9
C₃₃H₂₄N₂O₉

: 108-24-7
acetic anhydride

: 1245643-07-5
O₅-acetyl-O₇-chrysinacetic acid [3-(4-phenyl-1,2,5-oxadiazole-2-oxide-3-yl)methoxyl]benzyl ester

Guidance literature:: With potassium carbonate; In acetone;
DOI:10.1016/j.bmcl.2010.12.077

Reference yield:

: 135733-30-1
3-(hydroxymethyl)-4-phenylfuroxan

: 1245643-07-5
O₅-acetyl-O₇-chrysinacetic acid [3-(4-phenyl-1,2,5-oxadiazole-2-oxide-3-yl)methoxyl]benzyl ester

Guidance literature:: Multi-step reaction with 4 steps

1: thionyl chloride

2: potassium carbonate; potassium iodide / acetonitrile

3: dmap; dicyclohexyl-carbodiimide / dichloromethane

4: potassium carbonate / acetone

With dmap; thionyl chloride; potassium carbonate; dicyclohexyl-carbodiimide; potassium iodide; In dichloromethane; acetone; acetonitrile;
DOI:10.1016/j.bmcl.2010.12.077

Reference yield:

: 620-24-6
3-Hydroxybenzyl alcohol

: 1245643-07-5
O₅-acetyl-O₇-chrysinacetic acid [3-(4-phenyl-1,2,5-oxadiazole-2-oxide-3-yl)methoxyl]benzyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: potassium carbonate; potassium iodide / acetonitrile

2: dmap; dicyclohexyl-carbodiimide / dichloromethane

3: potassium carbonate / acetone

With dmap; potassium carbonate; dicyclohexyl-carbodiimide; potassium iodide; In dichloromethane; acetone; acetonitrile;
DOI:10.1016/j.bmcl.2010.12.077