Taraxerone

Base Information

• Chemical Name: Taraxerone
• CAS No.: 514-07-8
• Molecular Formula: C30H48O
• Molecular Weight: 424.711
• Hs Code.: 29143990
• UNII: VC7U2M012Z
• DSSTox Substance ID: DTXSID60965707
• Nikkaji Number: J13.993I
• Wikidata: Q27136302
• Metabolomics Workbench ID: 141814
• ChEMBL ID: CHEMBL519077
• Mol file: 514-07-8.mol

Synonyms:taraxerone

Chemical Property of Taraxerone

Chemical Property:

• Vapor Pressure: 1.1E-09mmHg at 25°C
• Melting Point: 241-243 °C
• Refractive Index: 1.534
• Boiling Point: 488.3 °C at760mmHg
• Flash Point: 202.8°C
• PSA: 17.07000
• Density: 1.01 g/cm³
• LogP: 8.37710
• XLogP3: 9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 424.370516150
• Heavy Atom Count: 31
• Complexity: 831

Purity/Quality:

99%, ^*data from raw suppliers

Taraxerone 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(CCC2(CC=C3C4(CCC5C(C(=O)CCC5(C4CCC3(C2C1)C)C)(C)C)C)C)C
• Isomeric SMILES: C[C@]12CCC(C[C@H]1[C@@]3(CC[C@@H]4[C@]5(CCC(=O)C([C@@H]5CC[C@]4(C3=CC2)C)(C)C)C)C)(C)C

Technology Process of Taraxerone

There total 5 articles about Taraxerone 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: 98.0%

taraxerone oxime (16763-59-0) → taraxerone (514-07-8)

Guidance literature:

With Montmorillonite K-10 clay; pyridinium chlorochromate; for 0.05h; microwave irradiation;

Reference yield:

taraxerol (127-22-0,20460-33-7,81654-73-1) → taraxerone (514-07-8)

Guidance literature:

With chromium(VI) oxide; acetic acid; benzene;

DOI:10.1002/hlca.19500330434

Reference yield:

taraxer-14-ene-3β,24-diol → taraxerone (514-07-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 15 mg / pyridine / 1h, r.t. then 2 day, 60 deg C

2: 4 mg / LiAlH₄ / tetrahydrofuran / 1 h / Heating

3: 2.4 mg / pyridinium chlorochromate / CH₂Cl₂ / 2 h / Ambient temperature

With pyridine; lithium aluminium tetrahydride; pyridinium chlorochromate; In tetrahydrofuran; dichloromethane;

DOI:10.1016/S0031-9422(00)84786-X

upstream raw materials:

taraxerol

taraxerone oxime

taraxeryl acetate

Downstream raw materials:

taraxerol

taraxer-14-ene

epitaraxerol

Taraxerol

Refernces

• 1、 Ganguly, Nemai C.,Datta, Mrityunjoy,De, Prithwiraj. "Oxidative deprotection of oximes, phenylhydrazones and semicarbazones using pyridinium chlorochromate in catalytic amount with t-butyl hydroperoxide and in the solid state on montmorillonite K-10 clay support under microwave irradiation". . p. 308 - 312. Retrieved 2007/10/03.
• 2、 Katai, Masaaki,Terai, Tadamasa,Meguri, Haruo. "Triterpenoids of the Bark of Pieris japonica D. Don (Japenese Name: Asebi). II. 13C Nuclear Magnetic Resonance of the γ-Lactones of Ursane- and Oleane-type Triterpenes". . p. 1567 - 1571. Retrieved 2007/10/02.