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Structure

Chloro[(S)-(-)-2,2'-bis(diphenylphosphino)-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl](p-cymene)ruthenium(II) chloride [RuCl(p-cymene)((S)-H8-binap)]Cl

CAS
944451-27-8
Catalog Number
ACM944451278-1
Category
Ruthenium series catalysts
Molecular Weight
936.9
Molecular Formula
C54H54Cl2P2Ru

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Specification

Synonyms
(R)-RuCl[p-cymene)(H8-BINAP)]Cl;(S)-RuCl[(p-cymene)(H8-BINAP)]Cl;944451-27-8;Chloro[(R)-(+)-2,2 inverted exclamation marka-bis(diphenylphosphino)-5,5 inverted exclamation marka,6,6 inverted exclamation marka,7,7 inverted exclamation marka,8,8 inverted exclamation marka-octahydro-1,1 inverted exclamation marka-binaphthyl](p-cymene)ruthenium(II) chloride;Chloro[(S)-(-)-2,2 inverted exclamation marka-bis(diphenylphosphino)-5,5 inverted exclamation marka,6,6 inverted exclamation marka,7,7 inverted exclamation marka,8,8 inverted exclamation marka-octahydro-1,1 inverted exclamation marka-binaphthyl](p-cymene)ruthenium(II) chloride;
IUPAC Name
chlororuthenium(1+);[1-(2-diphenylphosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane;1-methyl-4-propan-2-ylbenzene;chloride;
Canonical SMILES
CC1=CC=C(C=C1)C(C)C.C1CCC2=C(C1)C=CC(=C2C3=C(C=CC4=C3CCCC4)P(C5=CC=CC=C5)C6=CC=CC=C6)P(C7=CC=CC=C7)C8=CC=CC=C8.Cl[Ru]Cl
InChI
InChI=1S/C44H40P2.C10H14.2ClH.Ru/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;1-8(2)10-6-4-9(3)5-7-10;/h1-12,19-26,29-32H,13-18,27-28H2;4-8H,1-3H3;2*1H;/q;+2/p-2
InChI Key
RDVYAXZMACLMGN-UHFFFAOYSA-L
Melting Point
>100 °C
Appearance
Powder
Storage
2-8°C
Complexity
885
Covalently-Bonded Unit Count
4
Exact Mass
936.212121
H-Bond Acceptor
1
Heavy Atom Count
59
Hydrogen Bond Acceptor Count
0
Hydrogen Bond Donor Count
0
Monoisotopic Mass
936.212121
Rotatable Bond Count
8
Topological Polar Surface Area
0 Ų
January 20, 2023


A high performance chiral catalyst
Chloro[(S)-(-)-2,2'-bis(diphenylphosphino)-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl](p-cymene)ruthenium(II) chloride [RuCl(p-cymene) can catalyze the hydrogenation of unsaturated carboxylic acids to chiral compounds with higher optical rotation value than binaphthyl.

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