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N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,1,2,2-tetramethylethylenediamine

Catalog Number
ACM351498107-3
Product Name
N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,1,2,2-tetramethylethylenediamine
Structure
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CAS
351498-10-7
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Synonyms
AK101388; 2,4-ditert-butyl-6-[[[3-[(3,5-ditert-butyl-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-2,3-dimethylbutan-2-yl]amino]methylidene]cyclohexa-2,4-dien-1-one; KS-000014F9; ANW-28087; N,N'-Bis(3,5-di-tert-butylsalicylidene)-2,3-dimethyl-2,3-butanediamine; 6,6'-((1E,1'E)-((2,3-Dimethylbutane-2,3-diyl)bis(azanylylidene))bis(methanylylidene))bis(2,4-di-tert-butylphenol); SCHEMBL13470911; ZINC100015053; AX8232927; TC-148973;
IUPAC Name
2,4-ditert-butyl-6-[[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-2,3-dimethylbutan-2-yl]iminomethyl]phenol;
Molecular Weight
548.856g/mol
Molecular Formula
C36H56N2O2;
Canonical SMILES
CC(C)(C)C1=CC(=C(C(=C1)C=NC(C)(C)C(C)(C)N=CC2=CC(=CC(=C2O)C(C)(C)C)C(C)(C)C)O)C(C)(C)C;
InChI
InChI=1S/C36H56N2O2/c1-31(2,3)25-17-23(29(39)27(19-25)33(7,8)9)21-37-35(13,14)36(15,16)38-22-24-18-26(32(4,5)6)20-28(30(24)40)34(10,11)12/h17-22,39-40H,1-16H3;
InChI Key
ZTDNTQMYPZYXNP-UHFFFAOYSA-N;
Complexity
814
Covalently-Bonded Unit Count
1
Exact Mass
548.434g/mol
H-Bond Acceptor
4
H-Bond Donor
2
Heavy Atom Count
40
Monoisotopic Mass
548.434g/mol
Rotatable Bond Count
9
Topological Polar Surface Area
65.2A^2
Application
N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,1,2,2-tetramethylethylenediamine serves as a valuable component in the synthesis of cobalt-based catalysts, which are instrumental in the hydrochlorination process of unactivated olefins. Additionally, it is utilized in the development of inhibitors for 11β hydroxysteroid dehydrogenase type 1.
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