Diethyl 2,2'-((4-oxo-2-phenyl-4H-1-benzopyran-5,7-diyl)bis(oxy))bisacetate

Base Information

• Chemical Name: Diethyl 2,2'-((4-oxo-2-phenyl-4H-1-benzopyran-5,7-diyl)bis(oxy))bisacetate
• CAS No.: 36086-89-2
• Molecular Formula: C23H22 O8
• Molecular Weight: 426.423
• Hs Code.: 2918990090
• European Community (EC) Number: 252-864-5
• DSSTox Substance ID: DTXSID10957490
• Nikkaji Number: J319.636D
• Wikidata: Q82937862
• ChEMBL ID: CHEMBL1526824
• Mol file: 36086-89-2.mol

Synonyms:36086-89-2;Diethyl flavone-5,7-dioxyacetate;EINECS 252-864-5;diethyl 2,2'-[(4-oxo-2-phenyl-4H-chromene-5,7-diyl)bis(oxy)]diacetate;Flavone 5,7-dioxyacetate d'ethyle [French];Flavone 5,7-dioxyacetate d'ethyle;Diethyl 2,2'-((4-oxo-2-phenyl-4H-1-benzopyran-5,7-diyl)bis(oxy))bisacetate;Diethyl 2,2'-((4-oxo-2-phenyl-4H-1-benzoypyran-5,7-diyl)bis(oxy)bisacetate);Acetic acid, 2,2'-((4-oxo-2-phenyl-4H-1-benzoypyran-5,7-diyl)bis(oxy)bis-, diethyl ester;Acetic acid,2,2'-[(4-oxo-2-phenyl-4H-1-benzopyran-5,7-diyl)bis(oxy)]bis-, diethyl ester(9CI);C23H22O8;DIETHYL 2,2'-[(4-OXO-2-PHENYL-4H-1-BENZOPYRAN-5,7-DIYL)BIS(OXY)]BISACETATE;SMR000185380;Oprea1_058977;MLS000576903;CHEMBL1526824;DTXSID10957490;HMS2438K14;EiM07-29882;STL464573;AKOS016380410;NCGC00245744-01;SR-01000204585;SR-01000204585-1;2,2'-[(4-Oxo-2-phenyl-4H-1-benzopyran-5,7-diyl)bis(oxy)]diacetic acid diethyl ester;Acetic acid, 2,2'-((4-oxo-2-phenyl-4H-1-benzopyran-5,7-diyl)bis(oxy))bis-, diethyl ester;Diethyl 2,2'-[(4-oxo-2-phenyl-4H-1-benzopyran-5,7-diyl)bis(oxy)]diacetate;ETHYL ((5-(2-ETHOXY-2-OXOETHOXY)-4-OXO-2-PHENYL-4H-CHROMEN-7-YL)OXY)ACETATE

Chemical Property of Diethyl 2,2'-((4-oxo-2-phenyl-4H-1-benzopyran-5,7-diyl)bis(oxy))bisacetate

Chemical Property:

• Boiling Point: 589.3°Cat760mmHg
• Flash Point: 255.3°C
• PSA: 101.27000
• Density: 1.279g/cm³
• LogP: 3.34380
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 11
• Exact Mass: 426.13146766
• Heavy Atom Count: 31
• Complexity: 667

Purity/Quality:

99% ^*data from raw suppliers

DIETHYL FLAVONE-5,7-DIOXYACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)COC1=CC2=C(C(=C1)OCC(=O)OCC)C(=O)C=C(O2)C3=CC=CC=C3

Technology Process of Diethyl 2,2'-((4-oxo-2-phenyl-4H-1-benzopyran-5,7-diyl)bis(oxy))bisacetate

There total 2 articles about Diethyl 2,2'-((4-oxo-2-phenyl-4H-1-benzopyran-5,7-diyl)bis(oxy))bisacetate 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: 85.0%

5,7-dihydroxy-2-phenyl-chromen-4-one (480-40-0) + ethyl bromoacetate (105-36-2) → 5,7-di-O-(ethoxycarbonyl)methyl chrysin (36086-89-2)

Guidance literature:

With potassium carbonate; In acetone; at 50 ℃; for 8h;

DOI:10.1016/j.ejmech.2013.12.044

Reference yield:

→ 5,7-di-O-(ethoxycarbonyl)methyl chrysin (36086-89-2)

Guidance literature:

Chrysin, Ethylbromacetat, K2CO3/Acn.;

Reference yield: 67.0%

5,7-di-O-(ethoxycarbonyl)methyl chrysin (36086-89-2) → 5,7-di-O-carboxymethyl chrysin (37470-13-6)

Guidance literature:

With methanol; potassium hydroxide; at 40 ℃; for 2h;

DOI:10.1016/j.ejmech.2013.12.044

upstream raw materials:

5,7-dihydroxy-2-phenyl-chromen-4-one

ethyl bromoacetate

Downstream raw materials:

5,7-di-O-carboxymethyl chrysin