(+)-Vestitol

Base Information

Chemical Name:(+)-Vestitol
CAS No.:20879-05-4
Molecular Formula:C16H16 O4
Molecular Weight:272.301
Hs Code.:2932999099
UNII:YRP165YV4N
DSSTox Substance ID:DTXSID10943131
Nikkaji Number:J11.831A
Wikidata:Q27108542
Metabolomics Workbench ID:22911
ChEMBL ID:CHEMBL252913
Mol file:20879-05-4.mol

Synonyms:(+)-Vestitol;(3S)-Vestitol;20879-05-4;(S)-Vestitol;Vestitol, (+)-;YRP165YV4N;CHEBI:9971;(3S)-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3S)-3,4-Dihydro-3-(2-hydroxy-4-methoxyphenyl)-2H-1-benzopyran-7-ol;2H-1-Benzopyran-7-ol, 3,4-dihydro-3-(2-hydroxy-4-methoxyphenyl)-, (3S)-;(3S)-3-(2-hydroxy-4-methoxyphenyl)chroman-7-ol;UNII-YRP165YV4N;CHEMBL252913;SCHEMBL13829404;DTXSID10943131;LMPK12080026;Q27108542;2',7-ISOFLAVANDIOL, 4'-METHOXY-, (S)-(+)-;3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol;(3S)-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol

Suppliers and Price of (+)-Vestitol

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 (+)-Vestitol

Chemical Property:

Vapor Pressure:1.34E-07mmHg at 25°C
Melting Point:156 °C
Boiling Point:418.5°C at 760 mmHg
PKA:9.53±0.40(Predicted)
Flash Point:206.9°C
PSA：58.92000
Density:1.282g/cm³
LogP:2.82510
XLogP3:2.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:272.10485899
Heavy Atom Count:20
Complexity:322

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC(=C(C=C1)C2CC3=C(C=C(C=C3)O)OC2)O
Isomeric SMILES:COC1=CC(=C(C=C1)[C@@H]2CC3=C(C=C(C=C3)O)OC2)O

Technology Process of (+)-Vestitol

There total 7 articles about (+)-Vestitol 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: 85.0%

: 33983-39-0
medicarpin

: 20879-05-4,52305-03-0
(+)-(3S)-Vestitol

Guidance literature:: With sodium cyanoborohydride; trifluoroacetic acid; In dichloromethane; at -10 - 0 ℃; for 1h;
DOI:10.1039/a904944d

Reference yield:

: C₃₀H₂₈O₄

: 20879-05-4,52305-03-0
(+)-(3S)-Vestitol

: 35878-41-2,52305-03-0
(3R)-Vestilol

Guidance literature:: With 10 wt% Pd(OH)2 on carbon; hydrogen; In tetrahydrofuran; methanol; water; at 20 ℃; Overall yield = 10.1 mg; enantioselective reaction;
DOI:10.1016/j.tetlet.2018.05.016

Reference yield:

: C₃₂H₃₂O₆

: 20879-05-4,52305-03-0
(+)-(3S)-Vestitol

: 35878-41-2,52305-03-0
(3R)-Vestilol

Guidance literature:: C₃₂H₃₂O₆; With sodium tetrahydroborate; In methanol; water; at 20 ℃; for 0.5h;

With ammonium chloride; In methanol; water; optical yield given as %ee; Further stages;
DOI:10.1016/j.tet.2009.10.116