psi-Rhodomyrtoxin

Base Information

Chemical Name:psi-Rhodomyrtoxin
CAS No.:24563-20-0
Molecular Formula:C₂₄H₂₈O₇
Molecular Weight:428.482
Hs Code.:
DSSTox Substance ID:DTXSID70331671
Nikkaji Number:J167.395E
Wikidata:Q27108670
Metabolomics Workbench ID:69022
Mol file:24563-20-0.mol

Synonyms:psi-Rhodomyrtoxin;Pseudorhodomyrtoxin;24563-20-0;2-methyl-1-[1,3,7,9-tetrahydroxy-2,8-dimethyl-6-(3-methylbutanoyl)dibenzofuran-4-yl]butan-1-one;C08951;ZINC00897895;AC1L9BXW;CHEBI:10635;DTXSID70331671;Q27108670

Suppliers and Price of psi-Rhodomyrtoxin

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
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Total 0 raw suppliers

Chemical Property of psi-Rhodomyrtoxin

Chemical Property:

Vapor Pressure:3.41E-12mmHg at 25°C
Boiling Point:538.1°Cat760mmHg
PKA:7.90±0.30(Predicted)
Flash Point:279.2°C
PSA：128.20000
Density:1.3g/cm³
LogP:5.48280
XLogP3:6.1
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:428.18350323
Heavy Atom Count:31
Complexity:679

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC(C)C(=O)C1=C(C(=C(C2=C1OC3=C2C(=C(C(=C3C(=O)CC(C)C)O)C)O)O)C)O

Technology Process of psi-Rhodomyrtoxin

There total 7 articles about psi-Rhodomyrtoxin 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%

: 24563-22-2,124440-76-2
ψ-rhodomyrtoxin tetra-acetate

: 24563-20-0
φ-rhodomyrtoxin

Guidance literature:: With sodium hydroxide; In methanol; for 1.5h; Ambient temperature;
DOI:10.1039/P19840002573

Reference yield:

: 116-53-0,600-07-7
2-Methylbutanoic acid

: 24563-20-0
φ-rhodomyrtoxin

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) boron trifluoride-diethyl etherate / 1.) 95-100 deg C, 6 h, 2.) ethanol, reflux, 4 h, 3.) pyridine, room temperature, 20 d

2: 96 percent / 10percent aq. sodium hydroxide / methanol / 1.5 h / Ambient temperature

With sodium hydroxide; boron trifluoride diethyl etherate; In methanol;
DOI:10.1039/P19840002573

Reference yield:

: 85949-95-7
di-(3,5-dimethoxy-4-methylphenyl) ether

: 24563-20-0
φ-rhodomyrtoxin

Guidance literature:: Multi-step reaction with 6 steps

1: 97 percent / iodine, silver trifluoroacetate / CHCl₃ / 0.67 h

2: 88 percent / activated copper bronze / 1.) 200 deg C, 0.5 h, 2.) 260 deg C, 1 h

3: 74 percent / tin(IV) chloride / CH₂Cl₂ / 16 h / Ambient temperature

4: 96 percent / boron tribromide / CH₂Cl₂ / 2 h

5: 1.) boron trifluoride-diethyl etherate / 1.) 95-100 deg C, 6 h, 2.) ethanol, reflux, 4 h, 3.) pyridine, room temperature, 20 d

6: 96 percent / 10percent aq. sodium hydroxide / methanol / 1.5 h / Ambient temperature

With sodium hydroxide; boron trifluoride diethyl etherate; iodine; silver trifluoroacetate; boron tribromide; tin(IV) chloride; copper; In methanol; dichloromethane; chloroform;
DOI:10.1039/P19840002573