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Merck
CN

673366

2,2′-[(1S,2S)-1,2-Cyclohexanediylbis[(E)-(nitrilomethylidyne)]]bis[4-(tert-butyl)-6-(1-piperidinylmethyl)phenol]

97%

Synonym(s):

N,N′-Bis[(E)-5-(tert-butyl)-2-hydroxy-3-(1-piperidinylmethyl)benzylidene]-[(1S,2S)-1,2-cyclohexanediamine]

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About This Item

Empirical Formula (Hill Notation):
C40H60N4O2
CAS Number:
478282-27-8
Molecular Weight:
628.93
NACRES:
NA.22
PubChem Substance ID:
24885161
UNSPSC Code:
12352005
MDL number:
MFCD08705258

Key Documents

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InChI

1S/C40H60N4O2/c1-39(2,3)33-21-29(37(45)31(23-33)27-43-17-11-7-12-18-43)25-41-35-15-9-10-16-36(35)42-26-30-22-34(40(4,5)6)24-32(38(30)46)28-44-19-13-8-14-20-44/h21-26,35-36,45-46H,7-20,27-28H2,1-6H3/b41-25+,42-26+/t35-,36-/m0/s1

SMILES string

CC(C)(C)c1cc(CN2CCCCC2)c(O)c(\C=N\[C@H]3CCCC[C@@H]3\N=C\c4cc(cc(CN5CCCCC5)c4O)C(C)(C)C)c1

InChI key

QWZFCHMBYWXSLV-HKPCBFNZSA-N

assay

97%

form

solid

mp

72-81 °C

functional group

imine

Application

2,2′-[(1S,2S)-1,2-Cyclohexanediylbis[(E)-(nitrilomethylidyne)]]bis[4-(tert-butyl)-6-(1-piperidinylmethyl)phenol] can be used:
  • In the synthesis of chiral Ru(II) salen complexes, which are employed in the binding studies with calf thymus DNA.
  • To prepare its titanium metal complexes, which are used as catalysts in the addition of organozinc compounds to α-aldiminoesters and α-ketoesters.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
01720DE

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Synthesis, characterization, DNA binding and cleavage studies of chiral Ru (II) salen complexes
Noor-ul HK, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy, 74(1), 113-119 (2009)
The first catalytic asymmetric addition of dialkylzincs to α-ketoesters
DiMauro EF and Kozlowski MC
Organic Letters, 4(22), 3781-3784 (2002)
Catalytic asymmetric addition of dialkylzinc reagents to α-aldiminoesters
Basra S, et al.
Organic Letters, 8(13), 2659-2662 (2006)

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