(R)-Tol-Binap RuCl2 AMPY - CAS 858116-31-1
Catalog: |
BB057393 |
Product Name: |
(R)-Tol-Binap RuCl2 AMPY |
CAS: |
858116-31-1 |
Synonyms: |
Dichloro[(R)-(+)-2,2'-bis(di-p-tolylphosphino)-1,1'-binaphthyl](2-aminomethylpyridine)ruthenium(II) |
IUPAC Name: | [1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphanedichlororutheniumpyridin-2-ylmethanamine |
Description: | (R)-Tol-Binap RuCl2 AMPY is a chiral ruthenium complex with catalyst use to enantioselectively hydrogenate various simple ketones. |
Molecular Weight: | 958.9 |
Molecular Formula: | C54H48Cl2N2P2Ru |
Canonical SMILES: | CC1=CC=C(C=C1)P(C2=CC=C(C=C2)C)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=C(C=C7)C)C8=CC=C(C=C8)C.C1=CC=NC(=C1)CN.Cl[Ru]Cl |
InChI: | InChI=1S/C48H40P2.C6H8N2.2ClH.Ru/c1-33-13-23-39(24-14-33)49(40-25-15-34(2)16-26-40)45-31-21-37-9-5-7-11-43(37)47(45)48-44-12-8-6-10-38(44)22-32-46(48)50(41-27-17-35(3)18-28-41)42-29-19-36(4)20-30-427-5-6-3-1-2-4-8-6/h5-32H,1-4H31-4H,5,7H22*1H/q+2/p-2 |
InChI Key: | UCHLDFFOSWUXLN-UHFFFAOYSA-L |
References: | Ohkuma, Takeshi., Journal of the American Chemical Society, 127, 8288-8289, (2005). |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 963 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 958.171319 |
Formal Charge: | 0 |
Heavy Atom Count: | 61 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 958.171319 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 38.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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