psi-Tectorigenin

Base Information

Chemical Name:psi-Tectorigenin
CAS No.:13111-57-4
Molecular Formula:C16H12 O6
Molecular Weight:300.268
Hs Code.:2914509090
UNII:8HXB4THX7F
DSSTox Substance ID:DTXSID00156899
Nikkaji Number:J14.262J
Wikipedia:Psi-Tectorigenin
Wikidata:Q3409943
Metabolomics Workbench ID:22566
ChEMBL ID:CHEMBL242741
Mol file:13111-57-4.mol

Synonyms:psi-tectorigenin

Suppliers and Price of psi-Tectorigenin

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

American Custom Chemicals Corporation
PSI-TECTORIGENIN 95.00%
5MG
$ 495.10

Total 9 raw suppliers

Chemical Property of psi-Tectorigenin

Chemical Property:

Vapor Pressure:5.78E-14mmHg at 25°C
Boiling Point:578.1 °C at 760 mmHg
Flash Point:220.9 °C
PSA：100.13000
Density:1.512 g/cm³
LogP:2.58540
Storage Temp.:2-8°C
XLogP3:2.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:300.06338810
Heavy Atom Count:22
Complexity:454

Purity/Quality:

99% ^*data from raw suppliers

PSI-TECTORIGENIN 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C(C=C(C2=C1OC=C(C2=O)C3=CC=C(C=C3)O)O)O

Technology Process of psi-Tectorigenin

There total 19 articles about psi-Tectorigenin 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%

: 204591-30-0
Acetic acid 3-(4-acetoxy-phenyl)-5-hydroxy-8-methoxy-4-oxo-4H-chromen-7-yl ester

: 13111-57-4
4',5,7-trihydroxy-8-methoxyisoflavone

Guidance literature:: With hydrogenchloride; In methanol; for 2h; Heating;
DOI:10.1248/cpb.46.222

Reference yield:

: 548-77-6
tectorigenin

: 13111-57-4
4',5,7-trihydroxy-8-methoxyisoflavone

Guidance literature:: With sodium carbonate; In water; for 4h; Time; Heating;

Reference yield:

: 3162-51-4
1-(2,4-Bis-benzyloxy-3,6-dimethoxy-phenyl)-ethanone

: 13111-57-4
4',5,7-trihydroxy-8-methoxyisoflavone

Guidance literature:: Multi-step reaction with 7 steps

1: 84 percent / KOH / ethanol / 1.5 h / 40 °C

2: thallium (III) nitrate * 3H₂O / methanol; CHCl₃ / 20 h / 30 °C

3: H₂ / 10percent Pd/C / methanol

4: 10percent aq. HCl / methanol / 2 h / Heating

5: 100 percent / pyridine

6: 82 percent / AlBr₃ / acetonitrile / 0.67 h / 20 °C

7: 85 percent / 16percent aq. HCl / methanol / 2 h / Heating

With pyridine; hydrogenchloride; potassium hydroxide; aluminum tri-bromide; hydrogen; thallium(III) nitrate; palladium on activated charcoal; In methanol; ethanol; chloroform; acetonitrile;
DOI:10.1248/cpb.46.222