(2E)-1-[3-[(1S,5S,6R)-6-[2,4-Dihydroxy-3-(3-methyl-2-buten-1-yl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2,4-dihydroxyphenyl]-3-(2,4-dihydroxyphenyl)-2-propen-1-one

Base Information

Chemical Name:(2E)-1-[3-[(1S,5S,6R)-6-[2,4-Dihydroxy-3-(3-methyl-2-buten-1-yl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2,4-dihydroxyphenyl]-3-(2,4-dihydroxyphenyl)-2-propen-1-one
CAS No.:83709-26-6
Molecular Formula:C₄₀H₃₈O₁₀
Molecular Weight:678.736
Hs Code.:
DSSTox Substance ID:DTXSID301098704
Wikidata:Q105138072

(2E)-1-[3-[(1S,5S,6R)-6-[2,4-Dihydroxy-3-(3-methyl-2-buten-1-yl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2,4-dihydroxyphenyl]-3-(2,4-dihydroxyphenyl)-2-propen-1-one

Synonyms:SCHEMBL23383225;DTXSID301098704;(2E)-1-[3-[(1S,5S,6R)-6-[2,4-Dihydroxy-3-(3-methyl-2-buten-1-yl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2,4-dihydroxyphenyl]-3-(2,4-dihydroxyphenyl)-2-propen-1-one;83709-26-6

Suppliers and Price of (2E)-1-[3-[(1S,5S,6R)-6-[2,4-Dihydroxy-3-(3-methyl-2-buten-1-yl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2,4-dihydroxyphenyl]-3-(2,4-dihydroxyphenyl)-2-propen-1-one

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

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Chemical Property of (2E)-1-[3-[(1S,5S,6R)-6-[2,4-Dihydroxy-3-(3-methyl-2-buten-1-yl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2,4-dihydroxyphenyl]-3-(2,4-dihydroxyphenyl)-2-propen-1-one

Chemical Property:

XLogP3:7.8
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:9
Exact Mass:678.24649740
Heavy Atom Count:50
Complexity:1270

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(C(C(C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C(=C(C=C3)O)CC=C(C)C)O)C4=C(C=CC(=C4O)C(=O)C=CC5=C(C=C(C=C5)O)O)O
Isomeric SMILES:CC1=C[C@@H]([C@@H]([C@H](C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C(=C(C=C3)O)CC=C(C)C)O)C4=C(C=CC(=C4O)C(=O)/C=C/C5=C(C=C(C=C5)O)O)O

Technology Process of (2E)-1-[3-[(1S,5S,6R)-6-[2,4-Dihydroxy-3-(3-methyl-2-buten-1-yl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2,4-dihydroxyphenyl]-3-(2,4-dihydroxyphenyl)-2-propen-1-one

There total 14 articles about (2E)-1-[3-[(1S,5S,6R)-6-[2,4-Dihydroxy-3-(3-methyl-2-buten-1-yl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2,4-dihydroxyphenyl]-3-(2,4-dihydroxyphenyl)-2-propen-1-one 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: 70.0%

: C₅₂H₅₀O₁₆

: 81381-68-2,83709-26-6
(+)-kuwanon J

Guidance literature:: With potassium carbonate; In methanol; water; at 20 ℃; for 1h; Inert atmosphere;
DOI:10.1002/anie.201404499

Reference yield:

: C₂₆H₂₄O₈

: 81381-68-2,83709-26-6
(+)-kuwanon J

Guidance literature:: Multi-step reaction with 2 steps

1.1: borane-THF; acetic acid; (2R)-(+)-3,3'-diphenyl-[2,2'-dinaphthalene]-1,1'-diol / tetrahydrofuran / 1.5 h / 20 °C / Molecular sieve; Inert atmosphere

1.2: 72 h / 20 °C / Molecular sieve; Inert atmosphere

2.1: potassium carbonate / methanol; water / 1 h / 20 °C / Inert atmosphere

With borane-THF; (2R)-(+)-3,3'-diphenyl-[2,2'-dinaphthalene]-1,1'-diol; potassium carbonate; acetic acid; In tetrahydrofuran; methanol; water;
DOI:10.1002/anie.201404499

Reference yield:

: 2'-hydroxy-2,4,4'-tri(methoxymethoxy)chalcone

: 81381-68-2,83709-26-6
(+)-kuwanon J

Guidance literature:: Multi-step reaction with 8 steps

1.1: potassium carbonate / acetone / 24 h / Reflux; Inert atmosphere

2.1: montmorillonite K-10 / dichloromethane / 8 h / 0 °C / Inert atmosphere

3.1: hydrogenchloride / methanol / 20 h / 20 °C / Inert atmosphere

3.2: 2 h / 0 - 20 °C / Inert atmosphere

4.1: pyridine / dichloromethane / 13 h / 0 - 20 °C / Inert atmosphere

5.1: tris(bipyridine)ruthenium(II) dichloride hexahydrate / methanol / 26 h / 20 °C / Irradiation; Inert atmosphere

5.2: 16 h / 20 °C / Inert atmosphere

6.1: 1,8-diazabicyclo[5.4.0]undec-7-ene; thionyl chloride / dichloromethane / 12 h / -78 - 20 °C / Inert atmosphere

7.1: borane-THF; acetic acid; (2R)-(+)-3,3'-diphenyl-[2,2'-dinaphthalene]-1,1'-diol / tetrahydrofuran / 1.5 h / 20 °C / Molecular sieve; Inert atmosphere

7.2: 72 h / 20 °C / Molecular sieve; Inert atmosphere

8.1: potassium carbonate / methanol; water / 1 h / 20 °C / Inert atmosphere

With pyridine; hydrogenchloride; thionyl chloride; borane-THF; tris(bipyridine)ruthenium(II) dichloride hexahydrate; (2R)-(+)-3,3'-diphenyl-[2,2'-dinaphthalene]-1,1'-diol; potassium carbonate; acetic acid; 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran; methanol; dichloromethane; water; acetone;
DOI:10.1002/anie.201404499