Faradione

Base Information

• Chemical Name: Faradione
• CAS No.: 42482-68-8
• Molecular Formula: C30H46O2
• Molecular Weight: 438.7
• NSC Number: 119118,277277
• DSSTox Substance ID: DTXSID80297911
• Mol file: 42482-68-8.mol

Synonyms:Faradione;42482-68-8;Faradione, from Calendula;Urs-20-ene-3, (18.alpha.,19.alpha.)-;Urs-20-ene-3,16-dione, (18.alpha.,19.alpha.)-;DTXSID80297911;JZDSIQGHBJTPKJ-UHFFFAOYSA-N;FARADIONE B612580K045;NSC119118;NSC277277;NSC 119118;NSC-119118;NSC-277277

Chemical Property of Faradione

Chemical Property:

• Vapor Pressure: 1.08E-10mmHg at 25°C
• Boiling Point: 514.4°C at 760 mmHg
• Flash Point: 189.8°C
• PSA: 34.14000
• Density: 1.006g/cm³
• LogP: 7.41200
• XLogP3: 6.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 438.349780706
• Heavy Atom Count: 32
• Complexity: 897

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2C3CCC4C5(CCC(=O)C(C5CCC4(C3(CC(=O)C2(CC=C1C)C)C)C)(C)C)C

Technology Process of Faradione

There total 8 articles about Faradione 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: 65.0%

faradiol (20554-95-4) → Faradion (42482-68-8) + (16β,18α,19α)-16-hydroxyurs-20-en-3-one (66394-73-8) + (3β,18α,19α)-3-hydroxyurs-20-en-16-one

Guidance literature:

With potassium dichromate; sulfuric acid; In diethyl ether; water; at 20 ℃; for 7h;

DOI:10.1002/cbdv.201500356

Reference yield:

28-Tosyloxy-3.16-dioxotarax-20-en (74715-55-2) → Faradion (42482-68-8)

Guidance literature:

With sodium iodide; zinc; In N,N-dimethyl-formamide; Heating;

Reference yield:

Heliantriol B(0) → Faradion (42482-68-8)

Guidance literature:

Multi-step reaction with 4 steps

1: (i) Py, (ii) CrO₃, AcOH

2: (i) CF₃CO₂H, CHCl₃, (ii) MeOH

3: Py

4: NaI, Zn / dimethylformamide / Heating

With pyridine; sodium iodide; zinc; In N,N-dimethyl-formamide;

upstream raw materials:

faradiol

28-Tosyloxy-3.16-dioxotarax-20-en

28-Hydroxy-3,16-dioxotarax-20-en

28-Trityloxy-3,16-dioxotarax-20-en