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
MDL Number: MFCD29072953
Linear Formula: C60H95ClO3P2Pd
Product Type: Chemical
This picture is provided solely for illustration purposes, it may have been created or edited with AI. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 667315-1G
| 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 |
12161600 |