Bis(triphenylphosphine)palladium chloride
Pd(PPh3)2Cl2 · PdCl2(PPh3)2 · Pd(PPh3)Cl2 · DICHLOROBIS(TRIPHENYLPHOSPHINE)PALLADIUM · BIS(TRIPHENYLPHOSPHINE)PALLADIUM(II) DICHLORIDE · (PPh3)2PdCl2 · DICHLOROBIS(TRIPHENYLPHOSPHINE)PALLADIUM(II) · BIS(TRIPHENYLPHOSPHINE)PALLADIUM CHLORIDE
식별자 및 물리적 특성
| CAS No. | 13965-03-2 |
|---|---|
| 분자식 | C36H30Cl2P2Pd |
| 평균 분자량 | 701.9 g/mol |
| 단동위원소 질량 | 700.02346 g/mol |
| SMILES | [Cl-].[Cl-].[Pd+2].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1 |
| InChIKey | YNHIGQDRGKUECZ-UHFFFAOYSA-L |
| PubChem CID | 84124 |
화학 및 물리적 성질
| 극성 표면적 | 0 |
|---|---|
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 6 |
| 무거운 원자 수 | 41 |
| 형식 전하 | 0 |
| 복잡도 | 202 |
| 녹는점 | 260°C |
| 증기압 | 0Pa at 25℃ |
| 저장 조건 | Store below +30°C. |
| 용해도 | 클로로포름(약간 용해됨), 디클로로메탄(약간 용해됨, 가열), 메탄올(약간 용해됨） |
| 물리적 상태 | 가루 |
| 색상 | 노란색 |
| 용해도 | 물에 불용성. 벤젠, 톨루엔에 용해됩니다. |
| BRN | 4935975 |
| InChI | InChI=1S/2C18H15P.2ClH.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h2*1-15H2*1H/q+2/p-2 |
| InChIKey | ILBDOZRDKNIJBS-UHFFFAOYSA-N |
| SMILES | P(C1C=CC=CC=1)(C1=CC=CC=C1)C1C=CC=CC=1.P(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.[Pd](Cl)Cl |
| LogP(분배 계수) | 5.69 at 20℃ |
화학적 성질
Bis(triphenylphosphine)palladium chloride is a coordination compound of palladium containing two triphenylphosphine and two chloride ligands. This yellow solid is insoluble in water but can dissolve in some organic solvents, such as toluene and benzene, and is slightly soluble in acetone and chloroform. It is used for palladium-catalyzed coupling reactions, e.g. the Sonogashira–Hagihara reaction. The complex adopts a square planar geometry and numerous similar complexes are known, with different phosphine ligands.
안전 및 규제
| 수질 위해 등급(WGK) | 3 |
|---|---|
| TSCA 등재 상태 | No |
| 관세 코드 | 28439090 |
| 위험 문구(R) | 36/37/38-22-40-19 |
| 위험 표시 | Xn |
| 안전 문구(S) | 37/39-26-36/37 |
| F 고인화성물질 | 3-10-21 |
| 위험 등급 | Aquatic Chronic 4Skin Sens. 1A |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
Bis(triphenylphosphine)palladium(II) chloride is used primarily in organometallic catalytic reactions due to the palladium content of the compound. It is also involved in crystalized structures of me tallacyclic complexes which show antiinflammatory and antifungal properties.
일반 설명
Bis(triphenylphosphine)palladium(II) dichloride is an organometallic complex. It is an efficient cross-coupling catalyst for C-C coupling reaction, such as Negishi coupling, Suzuki coupling, Sonogashira coupling and Heck coupling reaction. Detection of bis(triphenylphosphine)palladium(II) dichloride by electrospray ionization quadrupole ion trap mass spectrometry using different imidazolium salts as the charge carrier has been reported. It is employed as catalyst for the Heck reaction medium.