ビス(ジベンジリデンアセトン) パラジウム(0)
ビス(ジベンジリデンアセトン) パラジウム(0) · ビス(ジベンジリデンアセトン)パラジウム · ビス(ジベンジリデンアセトン)パラジウム(0) · パラジウム(0)ビス(ジベンジリデンアセトン) · ビス(ジベンジリデンアセトン)パラジウム(0) 【ジョンソン・マッセイ社製造】 · ビス(ジベンジリデンアセトン)パラジウム(0) [Pd(dba)2]Pd(dba)2 · PD(DBA)2 · DBaPd
識別子と物理属性
| CAS No. | 32005-36-0 |
|---|---|
| 分子式 | C34H28O2Pd |
| 平均分子量 | 575 g/mol |
| 単同位体質量 | 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 |
| 現地名 | ビス(ジベンジリデンアセトン) パラジウム(0) |
化学・物理的性質
| 極性表面積 | 34.1 |
|---|---|
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 2 |
| 回転可能結合数 | 8 |
| 重原子数 | 37 |
| 形式電荷 | 0 |
| 複雑度 | 272 |
| 融点 | 150°C |
| 貯蔵条件 | under inert gas (nitrogen or Argon) at 2–8 °C |
| 溶解度 | クロロホルム（わずかに）不溶性 |
| 外観・状態 | 微粉 |
| 色 | 赤褐色から黒 |
| 安定性 | Hygroscopic |
| 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 |
| CAS データベース | 32005-36-0(CAS DataBase Reference) |
化学的特性
purple brown
安全性と法規制
| GHS 分類 | 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%) |
| 健康影響 | Contact with palladium may cause palladium sensitivity and allergy. Animal studies have shown that palladium may damage the liver and kidney. (L798) |
| 毒性の概要 | 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). |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | No |
| 税関コード | 28439000 |
| 危険文句（R） | 36/38 |
| 危険表示 | Xi |
| 安全措置（S） | 22-24/25-37/39-26 |
| 貯蔵分類 | 11 - Combustible Solids |
用途
使用
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.
一般的な説明
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.