Oplopanone

Base Information

• Chemical Name: Oplopanone
• CAS No.: 1911-78-0
• Deprecated CAS: 108654-34-8
• Molecular Formula: C₁₅H₂₆O₂
• Molecular Weight: 238.37
• DSSTox Substance ID: DTXSID80172633
• Nikkaji Number: J13.792H
• Wikidata: Q72497912
• Metabolomics Workbench ID: 166923
• ChEMBL ID: CHEMBL4097977
• Mol file: 1911-78-0.mol

Synonyms:Oplopanone;1911-78-0;(-)-Oplopanone;1-[[(1S,3AALPHA,7ABETA)-OCTAHYDRO-4BETA-HYDROXY-4-METHYL-7BETA-ISOPROPYL-1H-INDEN]-1-YL]ETHANONE;Oplopanon;1-[(1S,3aR,4R,7S,7aS)-4-hydroxy-4-methyl-7-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydroinden-1-yl]ethanone;CHEMBL4097977;DTXSID80172633;AKOS040762149;FS-10529;10-Hydroxyoplopan-4-one

Chemical Property of Oplopanone

Chemical Property:

• Melting Point: 88 - 89 °C
• Boiling Point: 336.7±25.0 °C(Predicted)
• PKA: 14.88±0.60(Predicted)
• PSA: 37.30000
• Density: 0.995±0.06 g/cm3(Predicted)
• LogP: 3.03480
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 238.193280068
• Heavy Atom Count: 17
• Complexity: 310

Purity/Quality:

98%,99%, ^*data from raw suppliers

Oplopanone ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1CCC(C2C1C(CC2)C(=O)C)(C)O
• Isomeric SMILES: CC(C)[C@@H]1CC[C@@]([C@H]2[C@H]1[C@H](CC2)C(=O)C)(C)O

Technology Process of Oplopanone

There total 1 articles about Oplopanone 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:

→ dl-Oplopanon (1911-78-0,35049-27-5,80924-80-7,96093-80-0,96093-81-1,106189-83-7,106189-84-8,107910-90-7)

Guidance literature:

α-Acetoxy-Keton X; 1. Ca / NH3, 2. CrO3;

DOI:10.1021/ja00752a076

Reference yield:

oplopanone (35049-27-5,80924-80-7,96093-80-0,96093-81-1,106189-83-7,106189-84-8,107910-90-7,1911-78-0) → (3aR,4R,7S,7aS)-4-Hydroxy-7-isopropyl-4-methyl-2-[1-phenyl-meth-(E)-ylidene]-octahydro-inden-1-one

Guidance literature:

Multi-step reaction with 3 steps

1: (i) CF₃CO₃H, CH₂Cl₂, (ii) KOH, MeOH

2: CrO₃, aq. H₂SO₄ / acetone

3: aq. NaOH / ethanol

With chromium(VI) oxide; sodium hydroxide; sulfuric acid; In ethanol; acetone;

DOI:10.1016/S0040-4020(01)99108-2

Reference yield:

oplopanone (35049-27-5,80924-80-7,96093-80-0,96093-81-1,106189-83-7,106189-84-8,107910-90-7,1911-78-0) → 1β,4β-dihydroxy-trans-eudesm-7-ene (13902-62-0)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / 20 °C

2: LiAlH₄ / diethyl ether / 1.5 h / Heating

With pyridine; lithium aluminium tetrahydride; In diethyl ether;

DOI:10.1007/BF00629968

Downstream raw materials:

β-oplopenone

α-oplopenone

1β,4β-dihydroxy-trans-eudesm-7-ene