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176763-62-5

Basic Information
CAS No.: 176763-62-5
Name: (R,R)-(-)-N,N'-BIS(3,5-DI-TERT-BUTYLSALICYLIDENE)-1,2-CYCLOHEXANEDIAMINO-COBALT(II)
Article Data: 1
Molecular Structure:
Molecular Structure of 176763-62-5 ((R,R)-(-)-N,N'-BIS(3,5-DI-TERT-BUTYLSALICYLIDENE)-1,2-CYCLOHEXANEDIAMINO-COBALT(II))
Formula: C36H52CoN2O2
Molecular Weight: 603.814
Synonyms: Cobalt,[[2,2'-[1,2-cyclohexanediylbis[(nitrilo-kN)methylidyne]]bis[4,6-bis(1,1-dimethylethyl)phenolato-kO]](2-)]-, [SP-4-2-(1R-trans)]-;(R,R)-(-)-N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediaminocobalt(II);(R,R)-Jacobsen HKR catalyst;(R,R)-N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediaminatocobalt(II);Cobalt,[[2,2'-[1,2-cyclohexanediylbis(nitrilomethylidyne)]bis[4,6-bis(1,1-dimethylethyl)phenolato]](2-)-N,N',O,O']-,[SP-4-2-(1R-trans)]-;N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2-diaminocyclohexanecobalt(II);
Melting Point: >350 °C(lit.)
Appearance: Orange to red-brown powder
Hazard Symbols: HarmfulXn
Risk Codes: 20/21/22
Safety: 36/37/39
PSA: 43.18000
LogP: 8.28320
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Specification

The (R,R)-(-)-N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediaminocobalt(II), with the CAS registry number 176763-62-5, belongs to the product categories of Kinetic ResolutionChiral Catalysts, Ligands, and Reagents; Asymmetric Synthesis; Chiral Catalysts, Ligands, and Reagents; Privileged Ligands and Complexes; SALENs. This chemical's molecular formula is C36H52CoN2O2 and molecular weight is 603.75. Its systematic name is called 2,2'-{(1R,2R)-cyclohexane-1,2-diylbis[nitrilo(E)methylylidene]}bis(4,6-di-tert-butylphenol)-cobalt (1:1). This chemical is orange to red-brown powder.

Physical properties of (R,R)-(-)-N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediaminocobalt(II): (1)#H bond acceptors: 4; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 10; (4)Polar Surface Area: 65.18 Å2; (5)Melting Point: >350 °C(lit.).

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: [Co].CC(C)(C)c3cc(/C=N/[C@@H]2CCCC[C@H]2/N=C/c1cc(cc(c1O)C(C)(C)C)C(C)(C)C)c(O)c(c3)C(C)(C)C
(2)InChI: InChI=1/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;/b37-21+,38-22+;/t29-,30-;/m1./s1
(3)InChIKey: PCZWNUHBFITYKI-CITKKJEGBR