Synonyms
ZINC95910984; 2-(Di-t-butylphosphino)-3-methoxy-6-methyl-2'-4'-6'-tri-i-propyl-1,1'-biphenyl; RockPhos, 97%; di-tert-butyl-[6-methoxy-3-methyl-2-(2,4,6-triisopropylphenyl)phenyl]phosphane; Y-200021; Di-tert-butyl(2 inverted exclamation marka,4 inverted exclamation marka,6 inverted exclamation marka-triisopropyl-3-methoxy-6-methyl-[1,1 inverted exclamation marka-biphenyl]-2-yl)phosphine; CVLLAKCGAFNZHJ-UHFFFAOYSA-N; 2-Di-tert-butylphosphino-3-Methoxy-6-Methyl-2',4',6'-triisopropyl-1,1'-biphenyl; SCHEMBL12929986; AX8242285;
IUPAC Name
ditert-butyl-[6-methoxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;
Molecular Weight
468.706g/mol
Molecular Formula
C31H49OP;
SMILES
CC1=C(C(=C(C=C1)OC)P(C(C)(C)C)C(C)(C)C)C2=C(C=C(C=C2C(C)C)C(C)C)C(C)C;
InChI
InChI=1S/C31H49OP/c1-19(2)23-17-24(20(3)4)28(25(18-23)21(5)6)27-22(7)15-16-26(32-14)29(27)33(30(8,9)10)31(11,12)13/h15-21H,1-14H3;
InChI Key
CVLLAKCGAFNZHJ-UHFFFAOYSA-N;
Application
Ligand used in the palladium-catalyzed C-O bond forming reactions of secondary and primary alcohols with a range of aryl halides. Heterocyclic halides and, for the first time, electron-rich aryl halides can be coupled with secondary alcohols.
Rotatable Bond Count
8
Exact Mass
468.352g/mol
Monoisotopic Mass
468.352g/mol
Topological Polar Surface Area
9.2A^2
Heavy Atom Count
33
Complexity
563
Covalently-Bonded Unit Count
1
H-Bond Acceptor
1
