Xanthoangelol B

Base Information

Chemical Name:Xanthoangelol B
CAS No.:132998-81-3
Molecular Formula:C₂₅H₂₈O₅
Molecular Weight:408.494
Hs Code.:
UNII:PA91X8J87C
Nikkaji Number:J1.481.718B
Metabolomics Workbench ID:26531
ChEMBL ID:CHEMBL494082

Synonyms:xanthoangelol B;(+)-Xanthoangelol B;132998-81-3;PA91X8J87C;UNII-PA91X8J87C;MLS002472953;(E)-1-[2,4-dihydroxy-3-[(2E)-6-hydroxy-3,7-dimethylocta-2,7-dienyl]phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one;SMR001397061;(2E)-(+)-1-(2,4-Dihydroxy-3-((2E)-6-hydroxy-3,7-dimethyl-2,7-octadien-1-yl)phenyl)-3-(4-hydroxyphenyl)-2-propen-1-one;2-Propen-1-one, 1-(2,4-dihydroxy-3-((2E)-6-hydroxy-3,7-dimethyl-2,7-octadien-1-yl)phenyl)-3-(4-hydroxyphenyl)-, (2E)-(+)-;2-Propen-1-one, 1-(2,4-dihydroxy-3-((2E)-6-hydroxy-3,7-dimethyl-2,7-octadienyl)phenyl)-3-(4-hydroxyphenyl)-, (2E)-(+)-;2-Propen-1-one, 1-(2,4-dihydroxy-3-(6-hydroxy-3,7-dimethyl-2,7-octadienyl)phenyl)-3-(4-hydroxyphenyl)-, (E,E)-(+)-;CHEMBL494082;SCHEMBL14523855;BDBM76798;cid_10409180;HMS2268I18;LMPK12120054;AKOS040735997;(E)-1-[2,4-dihydroxy-3-[(2E)-6-hydroxy-3,7-dimethyl-octa-2,7-dienyl]phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one;(E)-1-[2,4-dihydroxy-3-[(2E)-6-hydroxy-3,7-dimethylocta-2,7-dienyl]phenyl]-3-(4-hydroxyphenyl)-2-propen-1-one;(E)-1-[3-[(2E)-3,7-dimethyl-6-oxidanyl-octa-2,7-dienyl]-2,4-bis(oxidanyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one

Suppliers and Price of Xanthoangelol B

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
Packaging
price

Total 2 raw suppliers

Chemical Property of Xanthoangelol B

Chemical Property:

XLogP3:6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:9
Exact Mass:408.19367399
Heavy Atom Count:30
Complexity:630

Purity/Quality:: 99%+, ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(=C)C(CCC(=CCC1=C(C=CC(=C1O)C(=O)C=CC2=CC=C(C=C2)O)O)C)O
Isomeric SMILES:CC(=C)C(CC/C(=C/CC1=C(C=CC(=C1O)C(=O)/C=C/C2=CC=C(C=C2)O)O)/C)O

Technology Process of Xanthoangelol B

There total 12 articles about Xanthoangelol B 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:

: 1-(3-((E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-en-1-yl)-2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one

: 132998-81-3
(E)-1-(2,4-dihydroxy-3-((E)-6-hydroxy-3,7-dimethylocta-2,7-dienyl)pheny|)-3-(4-hydroxyphenyl)prop-2-en-1-one

Guidance literature:: With diethyl(2,2,6,6-tetramethylpiperidino)aluminium; In toluene; at 0 ℃; for 2h;
DOI:10.1021/acs.jmedchem.8b01012

Reference yield:

: 89-84-9
2',4'-dihydroxy-4-acetophenone

: 132998-81-3
(E)-1-(2,4-dihydroxy-3-((E)-6-hydroxy-3,7-dimethylocta-2,7-dienyl)pheny|)-3-(4-hydroxyphenyl)prop-2-en-1-one

Guidance literature:: Multi-step reaction with 3 steps

1: potassium hydroxide / ethanol / 24 h / Reflux

2: potassium hydroxide / methanol / 10 h / 0 °C / Reflux

3: diethyl(2,2,6,6-tetramethylpiperidino)aluminium / toluene / 2 h / 0 °C

With diethyl(2,2,6,6-tetramethylpiperidino)aluminium; potassium hydroxide; In methanol; ethanol; toluene;
DOI:10.1021/acs.jmedchem.8b01012

Reference yield:

: 6709-39-3
2,6-dimethyl-hepta-1,5-diene

: 132998-81-3
(E)-1-(2,4-dihydroxy-3-((E)-6-hydroxy-3,7-dimethylocta-2,7-dienyl)pheny|)-3-(4-hydroxyphenyl)prop-2-en-1-one

Guidance literature:: Multi-step reaction with 3 steps

1: 3-chloro-benzenecarboperoxoic acid / chloroform; diethyl ether / 1 h / 0 °C

2: Hoveyda-Grubbs catalyst second generation / dichloromethane

3: diethyl(2,2,6,6-tetramethylpiperidino)aluminium / toluene / 2 h / 0 °C

With Hoveyda-Grubbs catalyst second generation; diethyl(2,2,6,6-tetramethylpiperidino)aluminium; 3-chloro-benzenecarboperoxoic acid; In diethyl ether; dichloromethane; chloroform; toluene;
DOI:10.1021/acs.jmedchem.8b01012