(1S,2S)-(+)-N,N-Bis(3,5-di-t-butylsalicylidene)-1,2-cyclohexanediaminocobalt(II)

Catalog Number	ACM188264848
CAS	188264-84-8
Structure
Synonyms	(S,S)-(+)-N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexane
Molecular Weight	603.76
Molecular Formula	C36H52CoN2O2
Canonical SMILES	CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)[O-])C=NC2CCCCC2N=CC3=C(C(=CC(=C3)C(C)(C)C)C(C)(C)C)[O-].[Co+2]
InChI	InChI=1S/C36H54N2O2.Co/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;/q;+2/p-2/t29-,30-;/m0./s1
InChI Key	ZFWPDJKMASHRPT-PNHSAAKESA-L
Melting Point	350+ °C
Purity	99%
Appearance	Powder
Complexity	793
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
Exact Mass	603.336072
Heavy Atom Count	41
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isomeric SMILES	CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)[O-])C=N[C@H]2CCCC[C@@H]2N=CC3=C(C(=CC(=C3)C(C)(C)C)C(C)(C)C)[O-].[Co+2]
Monoisotopic Mass	603.336072
Rotatable Bond Count	8
Topological Polar Surface Area	70.8 Ų

Q&A

What is the molecular weight of (S,S)-(+)-N,N'-Bis(3,5-di-t-butylsalicylidene)-1,2-cyclohexanediaminocobalt(II)?

The molecular weight is 603.76.

What is the product category of this compound?

The product categories include Co; Jacobsen Metal; Asymmetric Synthesis; Chiral Catalysts, Ligands, and Reagents; Kinetic Resolution Chiral Catalysts, Ligands, and Reagents; fine chemicals, specialty chemicals, intermediates, electronic chemical, organic synthesis; Privileged Ligands and Complexes; SALENs; chem001.

What is the melting point of (S,S)-(+)-N,N'-Bis(3,5-di-t-butylsalicylidene)-1,2-cyclohexanediaminocobalt(II)?

The melting point is >350 °C.

in what form is this compound found?

It is found in powder form.

What is the hazard code associated with this compound?

The hazard code is Xn.

What safety statements are recommended for handling this compound?

Safety statements 36/37/39-36/37 are recommended.

What is the risk statement associated with (S,S)-(+)-N,N'-Bis(3,5-di-t-butylsalicylidene)-1,2-cyclohexanediaminocobalt(II)?

The risk statement is 20/21/22.

What is the WGK classification in Germany for this compound?

The WGK classification is 3.

What are some reactions in which this compound is used as a catalyst?

It is used in the kinetic resolution of racemic, terminal epoxides, as a precursor to a Co(III) catalyst for the kinetic resolution of terminal epoxides with alcohols, in the desymmetrization of meso-epoxides with carboxylic acids and fluoride, in the asymmetric cyclopropanation of styrene, in the copolymerization of CO2 and epoxides, and in the enantioselective intramolecular openings of oxetanes.

What are some of the uses of (S,S)-(+)-N,N'-Bis(3,5-di-t-butylsalicylidene)-1,2-cyclohexanediaminocobalt(II)?

It is used as a catalyst for the hydrolytic kinetic resolution of terminal epoxides and the enantioselective ring opening of meso epoxides.