Demethylvestitol

Base Information

Chemical Name:Demethylvestitol
CAS No.:65332-45-8
Molecular Formula:C15H14O4
Molecular Weight:258.27
Hs Code.:2932999099
UNII:3YG211N26G
DSSTox Substance ID:DTXSID101316570
Nikkaji Number:J146.859F
Wikidata:Q27258206
Metabolomics Workbench ID:22912
Mol file:65332-45-8.mol

Synonyms:Demethylvestitol;65332-45-8;2',4',7-Trihydroxyisoflavan;Demethylvestitol, (+/-)-;7,2',4'-Trihydroxyisoflavan;4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)benzene-1,3-diol;UNII-3YG211N26G;1,3-Benzenediol, 4-(3,4-dihydro-7-hydroxy-2H-1-benzopyran-3-yl)-;3YG211N26G;(+/-)-demethylvestitol;SCHEMBL9276561;CHEBI:174377;Pipecuronium bromide (USAN/INN);DTXSID101316570;LMPK12080027;AKOS032948995;Q27258206;3,4-Dihydro-3-(2,4-dihydroxyphenyl)-7-hydroxy-2H-1-benzopyran;4-(7-Hydroxy-3,4-dihydro-2H-chromen-3-yl)-1,3-benzenediol #;4-(3,4-Dihydro-7-hydroxy-2H-1-benzopyran-4-yl)-1,3-benzenediol, 9CI

Suppliers and Price of Demethylvestitol

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

Arctom
Demethylvestitol ≥98%
5mg
$ 463.00

Arctom
Demethylvestitol ≥98%
5mg
$ 327.00

Total 11 raw suppliers

Chemical Property of Demethylvestitol

Chemical Property:

Boiling Point:490.9±34.0 °C(Predicted)
PKA:9.69±0.40(Predicted)
PSA：69.92000
Density:1.382±0.06 g/cm3(Predicted)
LogP:2.52210
XLogP3:2.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:258.08920892
Heavy Atom Count:19
Complexity:309

Purity/Quality:

98%Min ^*data from raw suppliers

Demethylvestitol ≥98% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(COC2=C1C=CC(=C2)O)C3=C(C=C(C=C3)O)O

Technology Process of Demethylvestitol

There total 10 articles about Demethylvestitol 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: 83.0%

: 141330-22-5
(+/-)-3-<2,4-Bis(methoxymethoxy)phenyl>-3,4-dihydro-7-(methoxymethoxy)-2H-1-benzopyran

: 65332-45-8
(+/-)-4'-O-Demethylvestitol

Guidance literature:: With hydrogenchloride; In methanol; water; for 0.166667h; Heating;
DOI:10.1002/hlca.19920750205

Reference yield: 13.0%

: 7678-85-5
2',4',7-trihydroxyisoflavone

: 65332-45-8
(+/-)-4'-O-Demethylvestitol

Guidance literature:: With hydrogen; palladium on activated charcoal; In acetic acid; for 65h; under 2280 Torr; Ambient temperature;
DOI:10.1016/0031-9422(80)85139-9