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659622

Sigma-Aldrich

(S)-BINAPINE-rhodium complex

Synonym(s):

[(S)-BINAPINE(cyclooctadiene)rhodium(I)] tetrafluoroborate

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About This Item

Empirical Formula (Hill Notation):
C60H60BF4P2Rh
CAS Number:
1046806-02-3
Molecular Weight:
1032.78
MDL number:
MFCD07782007
UNSPSC Code:
12352005
PubChem Substance ID:
24884435

mp

>300 °C

SMILES string

[Rh+].F[B-](F)(F)F.C1CC=CCCC=C1.CC(C)(C)P2Cc3ccc4ccccc4c3-c5c(ccc6ccccc56)[C@@H]2[C@@H]7P(Cc8ccc9ccccc9c8-c%10c7ccc%11ccccc%10%11)C(C)(C)C

InChI

1S/C52H48P2.C8H12.BF4.Rh/c1-51(2,3)53-31-37-25-23-33-15-7-11-19-39(33)45(37)47-41-21-13-9-17-35(41)27-29-43(47)49(53)50-44-30-28-36-18-10-14-22-42(36)48(44)46-38(32-54(50)52(4,5)6)26-24-34-16-8-12-20-40(34)46;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h7-30,49-50H,31-32H2,1-6H3;1-2,7-8H,3-6H2;;/q;;-1;+1/b;2-1-,8-7-;;/t49-,50-,53+,54+;;;/m1.../s1

InChI key

ONKIOXVXGSKHFA-NBAVNVHNSA-N

Application

Chiral Quest Phosphine Ligands for Asymmetric Hydrogenation
Demonstates excellent enantioselectivity and reactivity for the asymmetric hydrogenation of Z-β-aryl(β-acylamino)acrylates.

Storage Class Code

13 - Non Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PDSCL

Deleterious substance

PRTR

Class I Designated Chemical Substances

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

659622-VAR:
659622-100MG:4548173304854
659622-500MG:4548173304847
659622-BULK:

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Certificates of Analysis (COA)

Lot/Batch Number
09717MD
14522HD

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A bisphosphepine ligand with stereogenic phosphorus centers for the practical synthesis of beta-aryl-beta-amino acids by asymmetric hydrogenation.
Wenjun Tang et al.
Angewandte Chemie (International ed. in English), 42(30), 3509-3511 (2003-08-06)

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