[N-[(1R,2R)-2-(amino-κN)-1,2-diphenylethyl]-4-methylbenzenesulfonamidato-κN]chloro[(1,2,3,4,5-η)-1,2,3,4,5-pentamethyl-2,4-cyclopentadien-1-yl]-rhodium Stereoisomer - CAS 223392-99-2
Catalog: |
BB061453 |
Product Name: |
[N-[(1R,2R)-2-(amino-κN)-1,2-diphenylethyl]-4-methylbenzenesulfonamidato-κN]chloro[(1,2,3,4,5-η)-1,2,3,4,5-pentamethyl-2,4-cyclopentadien-1-yl]-rhodium Stereoisomer |
CAS: |
223392-99-2 |
Synonyms: |
[(1R,2R)-2-Amino-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide; methane; 1,2,3,4,5-pentamethylcyclopentane; rhodium(2+); chloride; [N-[(1R,2R)-2-(amino-kappaN)-1,2-diphenylethyl]-4-methylbenzenesulfonamidato-kappaN]chloro[(1,2,3,4,5-eta)-1,2 |
IUPAC Name: | [(1R,2R)-2-amino-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanidemethane1,2,3,4,5-pentamethylcyclopentanerhodium(2+)chloride |
Description: | [N-[(1R,2R)-2-(amino-κN)-1,2-diphenylethyl]-4-methylbenzenesulfonamidato-κN]chloro[(1,2,3,4,5-η)-1,2,3,4,5-pentamethyl-2,4-cyclopentadien-1-yl]-rhodium Stereoisomer is a reagent used in inorganic reaction of sixteen-electron ruthenium and iridium amide complexes with acidic alcohols and intramolecular carbon-hydrogen bond activation. |
Molecular Weight: | 654.09 |
Molecular Formula: | C32H39ClN2O2RhS |
Canonical SMILES: | C.CC1C(C(C(C1C)C)C)C.CC1=CC=C(C=C1)S(=O)(=O)[N-]C(C2=CC=CC=C2)C(C3=CC=CC=C3)N.[Cl-].[Rh+2] |
InChI: | InChI=1S/C21H21N2O2S.C10H20.CH4.ClH.Rh/c1-16-12-14-19(15-13-16)26(24,25)23-21(18-10-6-3-7-11-18)20(22)17-8-4-2-5-9-171-6-7(2)9(4)10(5)8(6)3/h2-15,20-21H,22H2,1H36-10H,1-5H31H41H/q-1+2/p-1/t20-,21-/m1..../s1 |
InChI Key: | YLCLYZZZTCWCEJ-ZPVXIRCVSA-M |
GHS Hazard Statement: | H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 |
Signal Word: | Warning |
Complexity: | 583 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 5 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 659.19452 |
Formal Charge: | 0 |
Heavy Atom Count: | 39 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 659.19452 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 69.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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