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Structure

(S,S)-(+)-N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediamine

CAS
135616-36-3
Catalog Number
ACM135616363-1
Category
Other Products
Molecular Weight
546.83
Molecular Formula
C36H54N2O2

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Specification

Synonyms
(S,S)-Jacobsen's ligand
IUPAC Name
2,4-ditert-butyl-6-[[(1S,2S)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
Canonical SMILES
CC(C)(C)C1=CC(=CNC2CCCCC2NC=C3C=C(C=C(C3=O)C(C)(C)C)C(C)(C)C)C(=O)C(=C1)C(C)(C)C
InChI
FYNXDGNCEBQLGC-KYJUHHDHSA-N
InChI Key
InChI=1S/C36H54N2O2/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/t29-,30-/m0/s1
Boiling Point
646.3 °C at 760 mmHg
Melting Point
203-206 °C-lit.
Flash Point
115.2ºC
Density
1.03g/cm³
Appearance
Powder
EC Number
603-924-8
Exact Mass
546.41900
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
4
H-Bond Donor
2
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
Safety Description
S26-S36
WGK Germany
3
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