Accession Number: pdtdbl00055

Details of the Ligand

Ligand Name : p-Cymene
Systematic Names : p-Cymene; 4-Isopropyltoluene; p-Isopropyltoluene; Dolcymene; p-Cymol; Paracymene
Molecular Formula : C10H14
Molecular Weight : g/mol
IUPAC Name : 1-methyl-4-propan-2-ylbenzene
Canonical SMILES : CC1=CC=C(C=C1)C(C)C
Ligand Description :

p-Cymene is a naturally occurring aromatic organic compound. It is classified as an alkylbenzene related to a monoterpene. Its structure consists of a benzene ring para-substituted with a methyl group and an isopropyl group. There are two less common geometric isomers. o-Cymene, in which the alkyl groups are ortho-substituted, and m-Cymene, in which they are meta-substituted. p-Cymene is the only natural isomer. All three isomers form the group of cymenes.

p-Cymene is insoluble in water, but miscible with ethanol and diethyl ether. It is a constituent of a number of essential oils, most commonly the oil of cumin and thyme. Significant amounts are formed in sulfite pulping process from the wood terpenes.

p-Cymene is a common ligand for ruthenium. The parent compound is [(η6-Cymene)RuCl2]2. This half-sandwich compound is prepared by the reaction of ruthenium trichloride with the terpene α-Phellandrene. The osmium complex is also known.

Related Plants :
Ligand Related Dockings :
NA
Ligand References :
  1. https://en.wikipedia.org/wiki/P-Cymene
  2. https://pubchem.ncbi.nlm.nih.gov/compound/p-cymene
  3. http://chem.sis.nlm.nih.gov/chemidplus/name/p-cymene
p-Cymene

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