(S)-Xyl-SDP

CAS

528521-89-3

Catalog Number

ACM528521893

Category

Other Products

Molecular Weight

700.887g/mol

Molecular Formula

C49H50P2;

MSDS COA Spec Sheet

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Specification

Synonyms

917377-75-4; ZINC169619636; (S)-(-)-7,7 inverted exclamation marka-Bis[di(3,5-dimethylphenyl)phosphino]-1,1 inverted exclamation marka-spirobiindane; (S)-Xyl-SDP; 528521-89-3; (R)-7,7'-Bis(bis(3,5-dimethylphenyl)phosphino)-2,2',3,3'-tetrahydro-1,1'-spirobi[indene]; (R)-(+)-7,7 inverted exclamation marka-Bis[di(3,5-dimethylphenyl)phosphino]-1,1 inverted exclamation marka-spirobiindane; 521B893; SCHEMBL1224820; (aS)-7,7'-Bis[bis(3,5-dimethylphenyl)phosphino]-1,1'-spirobiindan;

IUPAC Name

[4'-bis(3,5-dimethylphenyl)phosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-bis(3,5-dimethylphenyl)phosphane;

Canonical SMILES

CC1=CC(=CC(=C1)P(C2=CC=CC3=C2C4(CC3)CCC5=C4C(=CC=C5)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C;

InChI

InChI=1S/C49H50P2/c1-31-19-32(2)24-41(23-31)50(42-25-33(3)20-34(4)26-42)45-13-9-11-39-15-17-49(47(39)45)18-16-40-12-10-14-46(48(40)49)51(43-27-35(5)21-36(6)28-43)44-29-37(7)22-38(8)30-44/h9-14,19-30H,15-18H2,1-8H3;

InChI Key

AZSBNBQMIMQOPG-UHFFFAOYSA-N;

Application

Chiral ligands for ruthenium-catalyzed asymmetric hydrogenation of simple ketones.

Chiral ligands for ruthenium-catalyzed asymmetric hydrogenation of racemic α-aryl cyclic ketones via dynamic kinetic resolution.

Complexity

967

Covalently-Bonded Unit Count

Exact Mass

700.339g/mol

Heavy Atom Count

Monoisotopic Mass

700.339g/mol

Rotatable Bond Count

Topological Polar Surface Area

0A^2