U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C36H52N2O2.Cl.Mn
Molecular Weight 635.201
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of (N,N'-BIS(3,5-DI-TERT-BUTYLSALICYLIDENE)-1,2-CYCLOHEXANEDIAMINE)MANGANESE(III) CHLORIDE, (R,R)-

SMILES

[Cl-].[Mn+3].[H][C@]1(CCCC[C@@]1([H])\N=C\C2=C([O-])C(=CC(=C2)C(C)(C)C)C(C)(C)C)\N=C\C3=CC(=CC(=C3[O-])C(C)(C)C)C(C)(C)C

InChI

InChIKey=LJVAWOSDJSQANR-OHRASPNLSA-K
InChI=1S/C36H54N2O2.ClH.Mn/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;1H;/q;;+3/p-3/b37-21+,38-22+;;/t29-,30-;;/m1../s1

HIDE SMILES / InChI

Molecular Formula C36H52N2O2
Molecular Weight 544.8103
Charge -2
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 2
Optical Activity UNSPECIFIED

Molecular Formula Mn
Molecular Weight 54.938
Charge 3
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:19:18 GMT 2023
Edited
by admin
on Sat Dec 16 08:19:18 GMT 2023
Record UNII
WPP775Y8PO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(N,N'-BIS(3,5-DI-TERT-BUTYLSALICYLIDENE)-1,2-CYCLOHEXANEDIAMINE)MANGANESE(III) CHLORIDE, (R,R)-
Common Name English
MANGANESE, CHLORO((2,2'-((1R,2R)-1,2-CYCLOHEXANEDIYLBIS((NITRILO-.KAPPA.N)METHYLIDYNE))BIS(4,6-BIS(1,1-DIMETHYLETHYL)PHENOLATO-.KAPPA.O))(2-))-, (SP-5-13)-
Systematic Name English
(R,R)-(N,N'-BIS(3,5-DI-TERT-BUTYLSALICYLIDENE)-1,2-CYCLOHEXANEDIAMINE)MANGANESE(III) CHLORIDE
Systematic Name English
(-)-CHLORO((1R,2R)-4,4',6,6'-TETRA-TERT-BUTYL-2,2'-(CYCLOHEXANE-1,2-DIYLBIS(NITRILOMETHYLIDYNE))DIPHENOLATO(MANGANESE(III)
Systematic Name English
(R,R)-JACOBSEN'S CATALYST
Common Name English
JACOBSEN'S CATALYST (R,R)-FORM [MI]
Common Name English
Code System Code Type Description
CAS
138124-32-0
Created by admin on Sat Dec 16 08:19:18 GMT 2023 , Edited by admin on Sat Dec 16 08:19:18 GMT 2023
PRIMARY
FDA UNII
WPP775Y8PO
Created by admin on Sat Dec 16 08:19:18 GMT 2023 , Edited by admin on Sat Dec 16 08:19:18 GMT 2023
PRIMARY
MERCK INDEX
m6570
Created by admin on Sat Dec 16 08:19:18 GMT 2023 , Edited by admin on Sat Dec 16 08:19:18 GMT 2023
PRIMARY Merck Index
WIKIPEDIA
Jacobsen's catalyst
Created by admin on Sat Dec 16 08:19:18 GMT 2023 , Edited by admin on Sat Dec 16 08:19:18 GMT 2023
PRIMARY