bis(2,7-dimethylocta-1,7-diene-3,6-diide); bis(dichlororutheniumbis(ylium))

• ChemBase ID: 143218
• Molecular Formular: C20H32Cl4Ru2
• Molecular Mass: 616.42008
• Monoisotopic Mass: 615.93450974
• SMILES: CC(=C)[CH-]CC[CH-]C(=C)C.Cl[Ru+2]Cl.Cl[Ru+2]Cl.CC(=C)[CH-]CC[CH-]C(=C)C
• Canonical SMILES: CC(=C)[CH-]CC[CH-]C(=C)C.CC(=C)[CH-]CC[CH-]C(=C)C.Cl[Ru+2]Cl.Cl[Ru+2]Cl
• InChI: InChI=1S/2C10H16.4ClH.2Ru/c2*1-9(2)7-5-6-8-10(3)4;;;;;;/h2*7-8H,1,3,5-6H2,2,4H3;4*1H;;/q2*-2;;;;;2*+4/p-4
• InChIKey: SLRHYWPBHODAJH-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(2,7-dimethylocta-1,7-diene-3,6-diide); bis(dichlororutheniumbis(ylium))
• IUPAC Traditional name: bis(2,7-dimethylocta-1,7-diene-3,6-diide); bis(dichlororutheniumbis(ylium))
• Synonyms: Tetrachlorobis(2,7-dimethyl-2,6-octadienylene)diruthenium; Dichlorodi-μ-chlorobis[(1,2,3,6,7,8-η-2,7-dimethyl-2,6-octadiene-1,8-diyl]diruthenium(IV); 四氯双(2,7-二甲基-2,6-辛二烯亚基)二钌; 二氯双-μ-氯双[(1,2,3,6,7,8-η-2,7-二甲基-2,6-辛二烯-1,8-二基]二钌(IV)

Database IDs

• CAS Number: 34801-97-3
• PubChem SID: 162237439
• PubChem CID: 71310900

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -3.1886888
• LogD (pH = 7.4): -3.1886888
• Log P: 3.8990219
• Molar Refractivity: 44.8482 cm^3
• Polarizability: 18.538834 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 193-202 °C (dec.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C20H32Cl4Ru2

DETAILS

Sigma Aldrich - 715131

Packaging
500 mg in glass bottle
Application
Catalyst for:
• Selective estragole to transanethole isomerization1
• Regioselective alkylation of indoles with terminal alkynes2
• Diyne polycyclotrimerization3
• Deprotection of N-allylic amines4
• Ring-opening metathesis polymerization of norbornene5
• Polymerization of cycloalkenes and norbornene6