1,5-Diphenylpenta-1,4-dien-3-one;palladium
PD(DBA)2 · DBaPd · PALLADIUM(0) BIS(DIBENZYLIDENEACETONE) · (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one,palladium · Pd(C17H14O)2 · bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one) palladium · Bis(dibenzyL · ideneacetone)paL
식별자 및 물리적 특성
| CAS No. | 32005-36-0 |
|---|---|
| 분자식 | C34H28O2Pd |
| 평균 분자량 | 575 g/mol |
| 단동위원소 질량 | 574.11241614 g/mol |
| SMILES | O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd] |
| InChIKey | UKSZBOKPHAQOMP-UHFFFAOYSA-N |
| PubChem CID | 154270 |
| EC No. | 608-691-6 |
| DTXSID | DTXSID70953892 |
화학 및 물리적 성질
| 극성 표면적 | 34.1 |
|---|---|
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 8 |
| 무거운 원자 수 | 37 |
| 형식 전하 | 0 |
| 복잡도 | 272 |
| 녹는점 | 150°C |
| 저장 조건 | under inert gas (nitrogen or Argon) at 2–8 °C |
| 용해도 | 클로로포름(약간 용해됨) |
| 물리적 상태 | 고운 가루 |
| 색상 | 적갈색에서 검정색까지 |
| 용해도 | 불용성 |
| 안정성 | 흡습성 |
| InChI | InChI=1S/2C17H10O.Pd/c2*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h2*1-10H |
| InChIKey | WTAPZWXVSZMMDG-JZOPPWQGSA-N |
| SMILES | O=C1C2=C(C3C=CC=CC=3)[Pd]34562(C(C2C=CC=CC=2)=C3C(=O)C4=C5C2C=CC=CC=2)C(C2C=CC=CC=2)=C16 |
화학적 성질
purple brown
안전 및 규제
| GHS 분류 | WarningH315 (10.8%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 37 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (10.8%) |
| 건강 영향 | Contact with palladium may cause palladium sensitivity and allergy. Animal studies have shown that palladium may damage the liver and kidney. (L798) |
| 독성 요약 | Due to their ability to form strong complexes with both inorganic and organic ligands, palladium ions can disturb cellular equilibria, replace other essential ions, and interact with functional groups of macromolecules, such as proteins or DNA. Palladium complexes binding to DNA and RNA leads to strand breakage. Palladium ions are able to inhibit most major cellular functions, including DNA and RNA synthesis. Palladium compounds have been shown to bind to and inhibit various enzymes, including creatine kinase and prolyl hydroxylase. (L798) |
| Signs and Symptoms | Skin contact with palladium may cause contact dermatitis, erythema, and oedema. (L798) |
| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | No |
| 관세 코드 | 28439000 |
| 위험 문구(R) | 36/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 22-24/25-37/39-26 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
Hydrogenation, isomerization, carbonylation, oxidation, C-C bond formation.Bis(dibenzylideneacetone)palladium(0) is used as a reagent for the preparation of allylic substituted cyclopentadienes. It acts as a homogeneous catalyst as well as in the alkylation of allyl acetates by various nucleophiles. Further, it is used in Suzuki reaction.
일반 설명
Bis(dibenzylideneacetone)palladium(0) (Pd(dba)2) is an air stable Pd0 complex. It is a reagent for the synthesis of allylic substituted cyclopentadienes. It is a homogeneous catalyst. It catalyzes the alkylation of allyl acetates by various nucleophiles under mild conditions.