Synonym: SamCat; [2-[[Bis[2,4-bis(1,1-dimethylethyl)phenoxy]phosphino-KP]oxy]-3,5-bis(1,1-dimethylethyl)phenyl-KC]chloro(tricyclohexylphosphine)palladium
CAS Number: 502964-53-6
Empirical Formula (Hill Notation): C60H95ClO3P2Pd
Molecular Weight: 1068.22
Linear Formula: C60H95ClO3P2Pd
Product Type: Chemical
| form |
solid |
| InChI |
1S/C42H62O3P.C18H33P.ClH.Pd/c1-37(2,3)28-19-22-34(31(25-28)40(10,11)12)43-46(44-35-23-20-29(38(4,5)6)26-32(35)41(13,14)15)45-36-24-21-30(39(7,8)9)27-33(36)42(16,17)18;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h19-23,25-27H,1-18H3;16-18H,1-15H2;1H;/q;;;+1/p-1 |
| InChI key |
KSWCAUMOXBNXFL-UHFFFAOYSA-M |
| mp |
176.7-187.1 °C |
| Quality Level |
100  |
| reaction suitability |
core: palladium |
| |
reaction type: Buchwald-Hartwig Cross Coupling Reaction |
| |
reaction type: Cross Couplings |
| |
reaction type: Heck Reaction |
| |
reaction type: Hiyama Coupling |
| |
reaction type: Negishi Coupling |
| |
reaction type: Sonogashira Coupling |
| |
reaction type: Stille Coupling |
| |
reaction type: Suzuki-Miyaura Coupling |
| |
reagent type: catalyst |
| SMILES string |
C1CCC(CC1)P(C2CCCCC2)C3CCCCC3.CC(C)(C)c4ccc(OP(Oc5ccc(cc5C(C)(C)C)C(C)(C)C)Oc6c([Pd]Cl)cc(cc6C(C)(C)C)C(C)(C)C)c(c4)C(C)(C)C |
| Application: |
Catalyst for coupling of alkyl bromides with aryl boronic acids |
| Packaging: |
1, 5 g in glass bottle |
| Packaging: |
250 mg in glass bottle |
| RIDADR |
NONH for all modes of transport |
| WGK Germany |
WGK 3 |
| Flash Point(F) |
Not applicable |
| Flash Point(C) |
Not applicable |
| mp |
176.7-187.1 °C |
| UNSPSC |
12352300 |
