Allolicoisoflavone A

Base Information

Chemical Name:Allolicoisoflavone A
CAS No.:82448-67-7
Molecular Formula:C20H18O6
Molecular Weight:354.359
Hs Code.:
UNII:OEL77NM46K
Nikkaji Number:J459.284K
Wikidata:Q27137424
ChEMBL ID:CHEMBL1929044

Synonyms:Allolicoisoflavone A;UNII-OEL77NM46K;OEL77NM46K;CHEBI:69085;82448-67-7;4H-1-Benzopyran-4-one, 3-(2,4-dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl)-5,7-dihydroxy-;4H-1-Benzopyran-4-one, 3-(2,4-dihydroxy-5-(3-methyl-2-butenyl)phenyl)-5,7-dihydroxy-;2',4',5,7-tetrahydroxy-5'-(3-methyl-2-butenyl)isoflavone;3-(2,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl)-5,7-dihydroxy-4H-chromen-4-one;3-[2,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-5,7-dihydroxy-4H-chromen-4-one;CHEMBL1929044;3-[2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxychromen-4-one;Q27137424

Suppliers and Price of Allolicoisoflavone A

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
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Total 0 raw suppliers

Chemical Property of Allolicoisoflavone A

Chemical Property:

XLogP3:4.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:354.11033829
Heavy Atom Count:26
Complexity:593

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(=CCC1=CC(=C(C=C1O)O)C2=COC3=CC(=CC(=C3C2=O)O)O)C

Technology Process of Allolicoisoflavone A

There total 22 articles about Allolicoisoflavone A 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: 77.0%

: 218898-11-4
2',4',5,7-tetrakis(benzoyloxy)-5'-(3-methyl-2-butenyl)isoflavone

: 82448-67-7
2',4',5,7-tetrahydroxy-5'-(3-methyl-2-butenyl)isoflavone

Guidance literature:: With sodium hydroxide; In tetrahydrofuran; methanol; at 45 ℃; for 0.666667h;
DOI:10.1246/bcsj.71.2673

Reference yield: 50.0%

: 82448-66-6
5-benzoyloxy-2',4',7-trihydroxy-5'-(3-methyl-2-butenyl)isoflavone

: 82448-67-7
2',4',5,7-tetrahydroxy-5'-(3-methyl-2-butenyl)isoflavone

Guidance literature:: With sodium hydroxide; In methanol; at 50 ℃; for 1h;
DOI:10.1246/bcsj.58.136

Reference yield:

: 18065-05-9
1-[2,4-bis(benzyloxy)-6-hydroxyphenyl]ethanone

: 82448-67-7
2',4',5,7-tetrahydroxy-5'-(3-methyl-2-butenyl)isoflavone

Guidance literature:: Multi-step reaction with 7 steps

1: 68 percent / piperidine / ethanol / 6 h / Heating

2: sodium acetate;

3: 79 percent / 1) thallium (III)nitrate trihydrate; 2) 10percent hydrochloric acid; / methanol / 1) 32-35 deg C; 8 h; 2) reflux; 3 h;

4: 97 percent / hydrogenolyse / 10percent Pd-C / methanol

5: 37 percent / pyridine / diethyl ether / 5.5 h / 2 - 5 °C

6: 12 percent / BF₃-etherate / dioxane / 6 h / 51 - 53 °C

7: dilute alkali / H₂O

With piperidine; pyridine; hydrogenchloride; dilute alkali; hydrogenolyse; boron trifluoride diethyl etherate; sodium acetate; thallium(III) nitrate; palladium on activated charcoal; In 1,4-dioxane; methanol; diethyl ether; ethanol; water;
DOI:10.1246/bcsj.58.136