Chloro(1,5-cyclooctadiene)iridium(I) dimer

• CAS: 12112-67-3
• Catalog Number: ACM12112673-4
• Category: Iridium series of catalysts
• Molecular Weight: 671.71
• Molecular Formula: C16H24Cl2Ir2
• Synonyms: Bis(1,5-cyclooctadiene)diiridium(I) dichloride
• IUPAC Name: (1Z,5Z)-cycloocta-1,5-diene;iridium;dichloride
• Canonical SMILES: C1CC=CCCC=C1.C1CC=CCCC=C1.[Cl-].[Cl-].[Ir].[Ir]
• InChI: InChI=1S/2C8H12.2ClH.2Ir/c2*1-2-4-6-8-7-5-3-1;/h2*1-2,7-8H,3-6H2;2*1H;/p-2/b2*2-1-,8-7-
• InChI Key: SHZHQWGWORCBJK-MIXQCLKLSA-L
• Melting Point: 205 °C
• Appearance: Red brown powder
• Application: 1. Precursor to catalysts for the asymmetric hydrogenation of tri- and tetrasubstituted olefins.; ; 2. Precursor to catalyst for enantioselective reduction of imines.; ; 3. Precursor to catalyst for allylic alkylation.; ; 4. Precursor to catalyst for allylic amination and etherification.; ; 5. Precursor to catalyst for the reaction of aroyl chlorides with internal alkynes to produce substituted naphthalenes and anthracenes.; ; 6. Ir-catalyzed addition of acid chlorides to terminal alkynes.; ; 7. Intramolecular hydroamination of unactivated alkenes with secondary alkyl- and arylamines.; ; 8. Enantioselective [2+2] cycloaddition.; ; 9. Silyl-directed, Ir-catalyzed ortho-borylation of arenes.; ; 10. Ir-catalyzed cross-coupling of styrene derivatives with allylic carbonates.; ; 11. Transfer hydrogenative C-C coupling
• Storage: 2-8°C
• Complexity: 72.6
• Covalently-Bonded Unit Count: 6
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 4
• EC Number: 235-170-7
• Exact Mass: 670.04902
• Formal Charge: -2
• H-Bond Acceptor: 2
• Heavy Atom Count: 20
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 0
• Isomeric SMILES: C1/C=C\CC/C=C\C1.C1/C=C\CC/C=C\C1.[Cl-].[Cl-].[Ir].[Ir]
• Monoisotopic Mass: 672.05135
• Rotatable Bond Count: 0
• Topological Polar Surface Area: 0 Ų

Custom Q&A

What is the PubChem CID for Chloro(1,5-cyclooctadiene)iridium(I) Dimer?

The PubChem CID for Chloro(1,5-cyclooctadiene)iridium(I) Dimer is 6436381.

What is the molecular formula of Chloro(1,5-cyclooctadiene)iridium(I) Dimer?

The molecular formula of Chloro(1,5-cyclooctadiene)iridium(I) Dimer is C16H24Cl2Ir2 -2.

What are the synonyms for Chloro(1,5-cyclooctadiene)iridium(I) Dimer?

The synonyms for Chloro(1,5-cyclooctadiene)iridium(I) Dimer are:
12112-67-3
Chloro(1,5-cyclooctadiene)iridium(I) dimer
Bis(1,5-cyclooctadiene)diiridium(I) dichloride
(1Z,5Z)-cycloocta-1,5-diene;iridium;dichloride
Iridium, di-.mu.-chlorobis[(1,2,5,6-.eta.)-1,5-cyclooctadiene]

What is the molecular weight of Chloro(1,5-cyclooctadiene)iridium(I) Dimer?

The molecular weight of Chloro(1,5-cyclooctadiene)iridium(I) Dimer is 671.7 g/mol.

What is the IUPAC name of Chloro(1,5-cyclooctadiene)iridium(I) Dimer?

The IUPAC name of Chloro(1,5-cyclooctadiene)iridium(I) Dimer is (1Z,5Z)-cycloocta-1,5-diene;iridium;dichloride.

What is the InChI of Chloro(1,5-cyclooctadiene)iridium(I) Dimer?

The InChI of Chloro(1,5-cyclooctadiene)iridium(I) Dimer is InChI=1S/2C8H12.2ClH.2Ir/c2*1-2-4-6-8-7-5-3-1;;;;/h2*1-2,7-8H,3-6H2;2*1H;;/p-2/b2*2-1-,8-7-;;;;.

What is the InChIKey of Chloro(1,5-cyclooctadiene)iridium(I) Dimer?

The InChIKey of Chloro(1,5-cyclooctadiene)iridium(I) Dimer is SHZHQWGWORCBJK-MIXQCLKLSA-L.

What is the canonical SMILES of Chloro(1,5-cyclooctadiene)iridium(I) Dimer?

The canonical SMILES of Chloro(1,5-cyclooctadiene)iridium(I) Dimer is C1CC=CCCC=C1.C1CC=CCCC=C1.[Cl-].[Cl-].[Ir].[Ir].

What is the CAS number of Chloro(1,5-cyclooctadiene)iridium(I) Dimer?

The CAS number of Chloro(1,5-cyclooctadiene)iridium(I) Dimer is 12112-67-3.

What is the isomeric SMILES of Chloro(1,5-cyclooctadiene)iridium(I) Dimer?

The isomeric SMILES is C1/C=C\CC/C=C\C1.C1/C=C\CC/C=C\C1.[Cl-].[Cl-].[Ir].[Ir].

What is the EC number of Chloro(1,5-cyclooctadiene)iridium(I) Dimer?

The EC number is 235-170-7.

What is the hydrogen bond donor count of Chloro(1,5-cyclooctadiene)iridium(I) Dimer?

The hydrogen bond donor count is 0.