(S,S)-[N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediamine]manganese(III) chloride - ≥98% , CAS No.135620-04-1

CAS: 135620-04-1 Cat. No.: S587065 Molecular Weight: 635.20 EC Number: 603-926-9 PubChem CID: 135742506

GRADE & PURITY ≥98%

Synonyms

MFCD02101663 | (S,S)-(+)-N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediaminomanganese(III) chloride | (S,S)-(+)-N,N'-BIS(3,5-DI-TERT-BUTYLSALICYLIDENE)-1,2-CYCLOHEXANEDIAMINO-MANGANESE(III) CHLORIDE | (S,S)-[N,N'-Bis(3,5-di-tert-butylsalicylide

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Product Describtion:

(S,S)-(+)-N,N′-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediaminomanganese(III) chloride is a metal-salen complex that can catalyze a variety of asymmetric transformations.

Product Application:

Reactant involved in:
Studies of intercalative binding with ct-DNA and radical scavenging antioxidant activity
Immobilization on phenoxy-modified zirconium poly(styrenephenylvinylphosphonate)
Synthesis of derivatvies for studies of conformational models of enantioselective reactions
Catalyst involved in:
Asymmetric epoxidation of olefins
Immobilization on ionic liquid modified mesoporous silica for oxidative kinetic resolution of racemic secondary alcohols
Immobilization on diamine modified zirconium olig-styrenyl phosphonate hydrogen phosphate for epoxidation of styrene
Salen (Mn)-catalyzed asymmetric epoxidation of unfunctionalized olefins. High enantioselectivities and yields are obtained for a variety of substrates, especially cis-alkenes. A few applications include the synthesis of the taxol side chain and cis-1-amino-2-indanol. Jacobsen′s catalyst has also been used in the asymmetric α-hydroxylation of silyl enol ethers.Catalyst for the enantioselective epoxidation of a variety of olefins.

Specifications

Synonyms

MFCD02101663 | (S, S)-(+)-N, N'-Bis(3, 5-di-tert-butylsalicylidene)-1, 2-cyclohexanediaminomanganese(III) chloride | (S, S)-(+)-N, N'-BIS(3, 5-DI-TERT-BUTYLSALICYLIDENE)-1, 2-CYCLOHEXANEDIAMINO-MANGANESE(III) CHLORIDE | (S, S)-[N, N'-Bis(3, 5-di-tert-butylsalicylide

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C=NC2CCCCC2N=CC3=C(C(=CC(=C3)C(C)(C)C)C(C)(C)C)O.[Cl-].[Cl-].[Cl-].[Mn+3]
• IUPAC Name: 2,4-ditert-butyl-6-[[(1S,2S)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;manganese(3+);trichloride
• InChIKey: VGAJDQCIDNCJQC-FTKQXCDWSA-K
• INCHI: 1S/C36H54N2O2.3ClH.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;3*1H;/q;;;;+3/p-3/t29-,30-;;;;/m0..../s1
• 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.[Cl-].[Cl-].[Cl-].[Mn+3]
• WGK Germany: 3
• PubChem CID: 135742506
• Molecular Weight: 635.20

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenylpropanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylpropanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanes
• Alternative Parents: Phenols Propargyl-type 1,3-dipolar organic compounds Organic transition metal salts Organic metal halides Aldimines Organopnictogen compounds Organooxygen compounds Organic zwitterions Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropane - Phenol - Organic metal halide - Organic transition metal salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Aldimine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Imine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 708.100 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 706.263 Da
• Monoisotopic Mass: 706.263 Da
• Topological Polar Surface Area: 65.200 Ų
• Heavy Atom Count: 44
• Formal Charge: 0
• Complexity: 793.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 5

XLogP3