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Chloro(1,5-cyclooctadiene)iridium(I) dimer
| Catalog Number | ACM12112673-4 |
| CAS | 12112-67-3 |
| Structure |  |
| IUPAC Name | (1Z,5Z)-cycloocta-1,5-diene;iridium;dichloride; |
| Synonyms | Bis(1,5-cyclooctadiene)diiridium(I) dichloride |
| Molecular Weight | 671.71 |
| Molecular Formula | C16H24Cl2Ir2 |
| 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 |
| Purity | 99% |
| 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 |
| EC Number | 235-170-7 |
| Exact Mass | 670.04902 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 2 |
| Monoisotopic Mass | 672.05135 |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0 Ų |
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