AG003CCA

138124-32-0 | (R,R)-(-)-N,N'-Bis(3,5-di-tertbutylsalicylidene)-1,2- cyclohexanediaminomanganese(III) chloride

AG003CCA

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CAS Number	138124-32-0
Catalog Number	AG003CCA(AGN-PC-0PM7XX)
Chemical Name	(R,R)-(-)-N,N'-Bis(3,5-di-tertbutylsalicylidene)-1,2- cyclohexanediaminomanganese(III) chloride
EC Number	604-063-0
IUPAC Name	2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]phenolate;manganese(3+);chloride
InChI	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/t29-,30-;;/m1../s1
InChI Key	LJVAWOSDJSQANR-SEILFYAJSA-K
MDL Number	MFCD02101664
Molecular Formula	C36H52ClMnN2O2
Molecular Weight	635.2013
SMILES	[Cl-][Mn+3]123[N](=Cc4c([O-]3)c(C(C)(C)C)cc(c4)C(C)(C)C)[C@H]3[C@H]([N]1=Cc1c([O-]2)c(C(C)(C)C)cc(c1)C(C)(C)C)CCCC3
UNII	WPP775Y8PO
Synonyms	(R,R)-Jacobsen's catalyst, UNII-WPP775Y8PO, 138124-32-0, WPP775Y8PO, Jacobsen's catalyst, (R,R)-(-)-N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediaminomanganese(III) chloride, Jacobsen's catalyst [MI], Jacobsen's catalyst (R,R)-form [MI], LJVAWOSDJSQANR-SEILFYAJSA-K, GEO-03071, MFCD02101664, CB-1743, (-)-Chloro((1R,2R)-4,4',6,6'-tetra-tert-butyl-2,2'-(cyclohexane-1,2-diylbis(nitrilomethylidyne))diphenolato(manganese(III), (N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediamine)manganese(III) chloride, (R,R)-, (N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediamine)manganese(III) chloride, (R,R)-rel-, (N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediamine)manganese(III) chloride, (RS,RS)-, (R,R)-(-)-N,N?-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediaminomanganese(III) chloride, (R,R)-(N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediamine)manganese(III) chloride, 149656-63-3, Manganese, chloro((2,2'-((1R,2R)-1,2-cyclohexanediylbis((nitrilo-kappaN)methylidyne))bis(4,6-bis(1,1-dimethylethyl)phenolato-kappaO))(2-))-, (sp-5-13)-, Manganese, chloro((2,2'-(1,2-cyclohexanediylbis(nitrilomethylidyne))bis(4,6-bis(1,1-dimethylethyl)phenolato))(2-)-N,N',O,O')-, (sp-5-13-(trans))-, Manganese, chloro((rel-2,2'-((1R,2R)-1,2-cyclohexanediylbis((nitrilo-kappaN)methylidyne))bis(4,6-bis(1,1-dimethylethyl)phenolato-kappaO))(2-))-, (sp-5-13)-, [[[(CH3)3C]2C6H2-2-(O-)CH=N]2C6H10]MnCl, UNII-45S483EOVD component LJVAWOSDJSQANR-OHRASPNLSA-K, (1R,2R)-(-)-[1,2-Cyclohexanediamino-N,N'-bis(3,5-di-t-butylsalicylidene)]manganese (III) chloride, 98% (R,R)-Jacobsen Catalyst, UNII-45S483EOVD, 45S483EOVD, B5613, (SP-5-13)-Chloro[[rel-2,2'-[(1R,2R)-1,2-cyclohexanediylbis[(nitrilo-?N)methyli-dyne]]bis[4,6-bis(1,1'-dimethylethyl)phenolato-?O]](2-)]manganese, (SP-5-13)-Chloro[[rel-2,2'-[(1R,2R)-1,2-cyclohexanediylbis[(nitrilo-Kappa-N)methyli-dyne]]bis[4,6-bis(1,1'-dimethylethyl)phenolato-Kappa-O]](2-)]manganese,

Complexity	793
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	634.31g/mol
Formal Charge	0
Heavy Atom Count	42
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	635.212g/mol
Monoisotopic Mass	634.31g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	70.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P362-P403+P233-P405-P501
UN Code

Certificate of Analysis

Lot Number