Derrusnin

Base Information

Chemical Name:Derrusnin
CAS No.:14736-62-0
Molecular Formula:C₁₉H₁₆O₇
Molecular Weight:356.332
Hs Code.:
DSSTox Substance ID:DTXSID601347833
Nikkaji Number:J14.306E
Wikidata:Q27195377
Metabolomics Workbench ID:27885
ChEMBL ID:CHEMBL1526572
Mol file:14736-62-0.mol

Synonyms:derrusnin;14736-62-0;4,5,7-Trimethoxy-3-(3,4-methylenedioxyphenyl)coumarin;3-(1,3-Benzodioxol-5-yl)-4,5,7-trimethoxy-2H-chromen-2-one;KBio1_001529;SpecPlus_000489;Spectrum2_000415;Spectrum3_001086;Spectrum4_001239;Spectrum5_001716;BSPBio_002732;KBioGR_001738;DivK1c_006585;SPECTRUM1401406;SPBio_000370;CHEMBL1526572;KBio3_001952;3-(1,3-benzodioxol-5-yl)-4,5,7-trimethoxychromen-2-one;CHEBI:114201;DTXSID601347833;CCG-39148;LMPK12160032;AKOS040740376;SDCCGMLS-0066840.P001;NCGC00095969-01;NCGC00095969-02;NCGC00178502-01;SR-05000002613;SR-05000002613-1;BRD-K72066653-001-02-5;BRD-K72066653-001-03-3;Q27195377;4,5,7-trimethoxy-3-(3,4-methylenedioxyphenyl) coumarin;3-(1,3-benzodioxol-5-yl)-4,5,7-trimethoxy-1-benzopyran-2-one;3-(1,3-Benzodioxol-5-yl)-4,5,7-trimethoxy-2H-1-benzopyran-2-one

Suppliers and Price of Derrusnin

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 3 raw suppliers

Chemical Property of Derrusnin

Chemical Property:

Vapor Pressure:1.08E-13mmHg at 25°C
Boiling Point:585.5°C at 760 mmHg
Flash Point:259.6°C
PSA：76.36000
Density:1.41g/cm³
LogP:3.21450
XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:356.08960285
Heavy Atom Count:26
Complexity:574

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC2=C(C(=C1)OC)C(=C(C(=O)O2)C3=CC4=C(C=C3)OCO4)OC

Technology Process of Derrusnin

There total 9 articles about Derrusnin 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: 96.0%

: 186581-53-3,908094-01-9,334-88-3
diazomethane

: 14736-61-9
4-hydroxy-5,7-dimethoxy-3-(3,4-methylenedioxyphenyl)-1-benzopyran-2-one

: 14736-62-0
derrusnin

Guidance literature:: In tetrahydrofuran; diethyl ether; at 4 ℃; for 14h;

Reference yield: 85.0%

: 14736-61-9
4-hydroxy-5,7-dimethoxy-3-(3,4-methylenedioxyphenyl)-1-benzopyran-2-one

: 18107-18-1
diazomethyl-trimethyl-silane

: 14736-62-0
derrusnin

Guidance literature:: In methanol; hexane; at 20 ℃; for 12h;
DOI:10.1055/s-2005-864808

Reference yield:

: 500-99-2
3,5-dimethoxyphenol

: 14736-62-0
derrusnin

Guidance literature:: Multi-step reaction with 5 steps

1.1: 78 percent / Sc(OTf)3 / toluene / 5 h / Heating

2.1: NaH / 0.33 h / Heating

2.2: 89 percent / aq. HCl / 1 h / 20 °C

3.1: 73 percent / p-acetamidobenzenesulphonyl azide; DBU / acetonitrile / 5 h / 20 °C

4.1: 70 percent / Rh₂(perfluorobutanoate)4 / hexafluorobenzene / 7 h / 130 °C

5.1: 85 percent / methanol; hexane / 12 h / 20 °C

With 4-acetamidobenzenesulfonyl azide; sodium hydride; 1,8-diazabicyclo[5.4.0]undec-7-ene; scandium tris(trifluoromethanesulfonate); dirhodium(II) tetrakis(perfluorobutyrate); In methanol; Hexafluorobenzene; hexane; toluene; acetonitrile;
DOI:10.1055/s-2005-864808