Plocamene E

Base Information

• Chemical Name: Plocamene E
• CAS No.: 63866-51-3
• Molecular Formula: C10H13Cl3
• Molecular Weight: 239.57
• DSSTox Substance ID: DTXSID601134254
• Nikkaji Number: J19.604E
• Wikidata: Q27151435
• Metabolomics Workbench ID: 167468
• Mol file: 63866-51-3.mol

Synonyms:PLOCAMENE E;63866-51-3;(1R,2S,4S)-1,2-dichloro-4-[(E)-2-chloroethenyl]-1-methyl-5-methylidenecyclohexane;CHEBI:80934;DTXSID601134254;NSC 305225;C17108;Q27151435;(1R,2S,4S)-1,2-Dichloro-4-[(1E)-2-chloroethenyl]-1-methyl-5-methylenecyclohexane

Chemical Property of Plocamene E

Chemical Property:

• Vapor Pressure: 0.0039mmHg at 25°C
• Boiling Point: 289.1°C at 760 mmHg
• Flash Point: 192.7°C
• PSA: 0.00000
• Density: 1.19g/cm³
• LogP: 4.31000
• XLogP3: 3.7
• 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)C=CCl)Cl
• Isomeric SMILES: C[C@]1(CC(=C)[C@@H](C[C@@H]1Cl)/C=C/Cl)Cl

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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