Plocamene D

Base Information

• Chemical Name: Plocamene D
• CAS No.: 62560-51-4
• Molecular Formula: C10H13Cl3
• Molecular Weight: 239.5692
• DSSTox Substance ID: DTXSID101134623
• Nikkaji Number: J19.603G
• Wikidata: Q27151431
• Metabolomics Workbench ID: 167466
• Mol file: 62560-51-4.mol

Synonyms:Plocamene D;62560-51-4;(1R,2R,4S)-2,4-dichloro-1-[(E)-2-chloroethenyl]-1-methyl-5-methylidenecyclohexane;CHEBI:80931;DTXSID101134623;C17105;Q27151431;(1R,2R,4S)-2,4-Dichloro-1-[(1E)-2-chloroethenyl]-1-methyl-5-methylenecyclohexane

Chemical Property of Plocamene D

Chemical Property:

• Vapor Pressure: 0.00168mmHg at 25°C
• Boiling Point: 303.4°Cat760mmHg
• Flash Point: 204.5°C
• PSA: 0.00000
• Density: 1.19g/cm³
• LogP: 4.31000
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 238.008283
• Heavy Atom Count: 13
• Complexity: 234

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC(=C)C(CC1Cl)Cl)C=CCl
• Isomeric SMILES: C[C@@]1(CC(=C)[C@H](C[C@H]1Cl)Cl)/C=C/Cl

Technology Process of Plocamene D

There total 1 articles about Plocamene D 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:

Violacene (54279-01-5) → Plocamen D (62560-51-4)

Guidance literature:

With chromium sulfate;

DOI:10.1016/0040-4020(79)80051-4

upstream raw materials:

Violacene

Refernces

10.1021/jo00395a028

The study investigates the synthesis and structural elucidation of various halogenated alicyclic monoterpenes derived from the red algae Plocamium violaceum and Plocamium cartilagineum. Key chemicals involved include cyclohexanone, which is used as a reactant in the initial synthesis steps, and aluminum isopropanoxide, which acts as a catalyst. Lithium acetylide-ethylenediamine complex is employed to introduce ethynyl groups, while hydrochloric acid and sodium bicarbonate are used in subsequent steps for acidification and neutralization, respectively. The study also involves the isolation and characterization of specific compounds such as plocamene D, plocamene D', plocamene E, and plocamene C, which are identified through spectroscopic methods including NMR and GC/MS. These compounds exhibit distinct structural features and mass spectral fragmentation patterns, providing insights into their biosynthetic pathways and potential biological activities.

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