3-(2,4-Diacetoxyphenyl)-4-methyl-7-acetoxycoumarin

Base Information

Chemical Name:3-(2,4-Diacetoxyphenyl)-4-methyl-7-acetoxycoumarin
CAS No.:554430-05-6
Molecular Formula:C₂₂H₁₈O₈
Molecular Weight:410.38
Hs Code.:
DSSTox Substance ID:DTXSID20458569
Nikkaji Number:J2.068.472K
Wikidata:Q82281971

Synonyms:3-(2,4-Diacetoxyphenyl)-4-methyl-7-acetoxycoumarin;554430-05-6;SCHEMBL5108571;DTXSID20458569;IYTCDXHHVFCDFC-UHFFFAOYSA-N;[3-(2,4-diacetyloxyphenyl)-4-methyl-2-oxochromen-7-yl] acetate;acetic acid 3-acetoxy-4-(7-acetoxy-4-methyl-2-oxo-2H-chromen-3-yl)-phenyl ester;acetic acid 3-acetoxy-4-(7-acetoxy-4-methyl-2-oxo-2H-chromen-3-yl)phenyl ester;acetic acid 3-acetoxy4-(7-acetoxy-4-methyl-2-oxo-2H-chromen-3-yl)phenyl ester

Suppliers and Price of 3-(2,4-Diacetoxyphenyl)-4-methyl-7-acetoxycoumarin

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
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Chemical Property of 3-(2,4-Diacetoxyphenyl)-4-methyl-7-acetoxycoumarin

Chemical Property:

XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:410.10016753
Heavy Atom Count:30
Complexity:754

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=C(C(=O)OC2=C1C=CC(=C2)OC(=O)C)C3=C(C=C(C=C3)OC(=O)C)OC(=O)C

Technology Process of 3-(2,4-Diacetoxyphenyl)-4-methyl-7-acetoxycoumarin

There total 10 articles about 3-(2,4-Diacetoxyphenyl)-4-methyl-7-acetoxycoumarin 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: 59.0%

: 108-24-7
acetic anhydride

: 553681-50-8
4-methyl-3-(2,4-dihydroxyphenyl)-7-hydroxycoumarin

: 554430-05-6
7-acetoxy-3-[(2,4-diacetoxy)phenyl]-4-methylcoumarin

Guidance literature:: With pyridine;
DOI:10.1021/op700020f

Reference yield:

: 6496-88-4
4-[(2,4-dimethoxy-phenyl)-thioacetyl]-morpholine

: 554430-05-6
7-acetoxy-3-[(2,4-diacetoxy)phenyl]-4-methylcoumarin

Guidance literature:: Multi-step reaction with 4 steps

1: sodium hydroxide / water / 3 h / 100 - 102 °C

2: triethylamine

3: pyridine hydrochloride

4: pyridine

With pyridine; pyridine hydrochloride; triethylamine; sodium hydroxide; In water;
DOI:10.1021/op700020f

Reference yield:

: 829-20-9
2',4'-dimethoxyacetophenone

: 554430-05-6
7-acetoxy-3-[(2,4-diacetoxy)phenyl]-4-methylcoumarin

Guidance literature:: Multi-step reaction with 5 steps

1: sulfur / 6 h / 130 °C

2: sodium hydroxide / water / 3 h / 100 - 102 °C

3: triethylamine

4: pyridine hydrochloride

5: pyridine

With pyridine; pyridine hydrochloride; sulfur; triethylamine; sodium hydroxide; In water;
DOI:10.1021/op700020f