Catalog Number:
AG0039WU
Chemical Name:
tBuBrettphos Pd G3
CAS Number:
1536473-72-9
Molecular Formula:
C44H62NO5PPdS
Molecular Weight:
854.4255
MDL Number:
MFCD25976528
IUPAC Name:
ditert-butyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;methanesulfonic acid;palladium;2-phenylaniline
InChI:
InChI=1S/C31H49O2P.C12H10N.CH4O3S.Pd/c1-19(2)22-17-23(20(3)4)27(24(18-22)21(5)6)28-25(32-13)15-16-26(33-14)29(28)34(30(7,8)9)31(10,11)12;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4;/h15-21H,1-14H3;1-6,8-9H,13H2;1H3,(H,2,3,4);/q;-1;;
InChI Key:
VKLHIPFGYVFUGT-UHFFFAOYSA-N
SMILES:
Nc1ccccc1c1ccccc1[Pd]OS(=O)(=O)C.COc1ccc(c(c1c1c(cc(cc1C(C)C)C(C)C)C(C)C)P(C(C)(C)C)C(C)(C)C)OC
