![structure of 1,2-Bis[(2S,5S)-2,5-diisopropylphospholano]benzene(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate](https://molwiki.oss-cn-hongkong.aliyuncs.com/structure/36/1000393-36-1.svg)
1,2-Bis[(2S,5S)-2,5-diisopropylphospholano]benzene(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate
CAS No.:
1000393-36-1
M. Wt:
716.46600
M. Fa:
C34H56BF4P2Rh
InChI Key:
IJKOQQHIAGRJHA-AUXLTOJKSA-N
Appearance:
Yellow To Orange To Red To Brown Powder
Names and Identifiers of 1000393-36-1
CAS Number |
1000393-36-1 |
|---|---|
EC Number |
943-095-2 |
IUPAC Name |
(1Z,5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S,5S)-2,5-di(propan-2-yl)phospholan-1-yl]phenyl]-2,5-di(propan-2-yl)phospholane;rhodium;tetrafluoroborate |
InChI |
InChI=1S/C26H44P2.C8H12.BF4.Rh/c1-17(2)21-13-14-22(18(3)4)27(21)25-11-9-10-12-26(25)28-23(19(5)6)15-16-24(28)20(7)8;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h9-12,17-24H,13-16H2,1-8H3;1-2,7-8H,3-6H2;;/q;;-1;/b;2-1-,8-7-;;/t21-,22-,23-,24-;;;/m0.../s1 |
InChIKey |
IJKOQQHIAGRJHA-AUXLTOJKSA-N |
Canonical SMILES |
[B-](F)(F)(F)F.CC(C)C1CCC(P1C2=CC=CC=C2P3C(CCC3C(C)C)C(C)C)C(C)C.C1CC=CCCC=C1.[Rh] |
Isomeric SMILES |
[B-](F)(F)(F)F.CC([C@H]1P([C@@H](CC1)C(C)C)C2=CC=CC=C2P3[C@@H](CC[C@H]3C(C)C)C(C)C)C.C1/C=C\CC/C=C\C1.[Rh] |
Physical and chemical properties of 1000393-36-1
Exact Mass |
716.29400 |
|---|---|
LogP |
11.55980 |
Molecular Formula |
C34H56BF4P2Rh |
Molecular Weight |
716.46600 |
PSA |
27.18000 |
Safety Information of 1000393-36-1
Applications of 1000393-36-1
The primary applications of 1,2-bis[(2S,5S)-2,5-diisopropylphospholano]benzene(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate include:
- Asymmetric Catalysis: Used extensively in asymmetric hydrogenation reactions to produce chiral molecules essential in pharmaceuticals and agrochemicals.
- Organic Synthesis: Acts as a catalyst in various organic transformations including cross-coupling reactions and C-H activation.
- Research Tool: Employed in academic research for studying reaction mechanisms and developing new catalytic systems.