(1S,2S)-(+)-[1,2-Cyclohexanediamino-N,N'-bis(3,5-di-t-butylsalicylidene)]chromium(III) chloride

• Catalog Number: ACM219143927
• Product Name: (1S,2S)-(+)-[1,2-Cyclohexanediamino-N,N'-bis(3,5-di-t-butylsalicylidene)]chromium(III) chloride
• CAS: 219143-92-7
• Category: Heterocyclic Organic Compound
• Synonyms: SCHEMBL2189792;219143-92-7;(S,S)-N,N -Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediaminochromium(III) chloride
• IUPAC Name: chromium;2,4-ditert-butyl-6-[[(1S,2S)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;chloride
• Molecular Weight: 634.286g/mol
• Molecular Formula: C36H54ClCrN2O2-
• Canonical SMILES: CC(C)(C)C1=CC(=C(C(=C1)C=NC2CCCCC2N=CC3=CC(=CC(=C3O)C(C)(C)C)C(C)(C)C)O)C(C)(C)C.[Cl-].[Cr]
• InChI: InChI=1S/C36H54N2O2.ClH.Cr/c1-33(2,3)25-17-23(31(39)27(19-25)35(7,8)9)21-37-29-15-13-14-16-30(29)38-22-24-18-26(34(4,5)6)20-28(32(24)40)36(10,11)12;;/h17-22,29-30,39-40H,13-16H2,1-12H3;1H;/p-1/t29-,30-;;/m0../s1
• InChI Key: URIXSIRVKMNVQX-ARDORAJISA-M
• Application: Catalyst for the asymmetric ring-opening of meso-epoxides and for the kinetic resolution of terminal epoxides.; ; Precatalyst for asymmetric Diels-Alder and hetero Diels-Alder reactions.; ; Catalyst for copolymerization of CO2 and epoxides.; ; Catalyst for enantioselective alkylation of tributyltin enolates.; ; Enantioselective addition of Me2Zn to aldehydes.; ; Enantioselective intramolecular addition of tertiary enamides to ketones.; ; Asymmetric iodocyclization.; ; Catalytic intermolecular linear allylic C-H animation.; ; Cocatalyst for enantioselective ring opening of epoxides with fluoride.
• Complexity: 800
• Covalently-Bonded Unit Count: 3
• Defined Atom Stereocenter Count: 2
• EC Number: 606-861-4
• Exact Mass: 633.328g/mol
• Formal Charge: -1
• H-Bond Acceptor: 5
• H-Bond Donor: 2
• Heavy Atom Count: 42
• Monoisotopic Mass: 633.328g/mol
• Rotatable Bond Count: 6
• Topological Polar Surface Area: 65.2A^2