化工社化工社 化学情報印刷レポート · 研究参考用
トリス(ジベンジリデンアセトン)パラジウム(0)
トリス(ジベンジリデンアセトン)パラジウム(0) · トリス(ジベンジリデンアセトン)二パラジウム(0) · PD(DBA)2 · Pd(dba)3 · PALLADIUM(0) BIS(DIBENZYLIDENEACETONE) · Bis(dibenzylideneacetone)dipalladium · Tris(dibenzylideneacetone)diplalladium(I) · tris(dibenzylideneacetone)dipalladium(o)(pd2(dba)3)
識別子と物理属性
| CAS No. | 52409-22-0 |
|---|---|
| 分子式 | C34H28O2Pd |
| 平均分子量 | 575 g/mol |
| 単同位体質量 | 574.11241 g/mol |
| SMILES | O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Pd] |
| InChIKey | UKSZBOKPHAQOMP-SVLSSHOZSA-N |
| PubChem CID | 6505921 |
| EC No. | 620-687-6 |
| 現地名 | トリス(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 | 152-155 °C(lit.) |
| 貯蔵条件 | Keep in dark place,Inert atmosphere,2-8°C |
| InChI | InChI=1S/2C17H14O.Pd/c2*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h2*1-14H/b2*13-11+,14-12+ |
| InChIKey | UKSZBOKPHAQOMP-SVLSSHOZSA-N |
| SMILES | [Pd].C(=C/C1=CC=CC=C1)\C(/C=C/C1=CC=CC=C1)=O.C(=C/C1=CC=CC=C1)\C(/C=C/C1=CC=CC=C1)=O |
| CAS データベース | 52409-22-0(CAS DataBase Reference) |
安全性と法規制
| GHS 分類 | DangerH228 (50%): Flammable solid [Danger Flammable solids]H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (75%): Harmful if inhaled [Warning Acute toxicity, inhalation]P210, P240, P241, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Flam. Sol. 1 (50%)Acute Tox. 4 (75%)Acute Tox. 4 (25%)Skin Irrit. 2 (25%)Eye Irrit. 2 (25%) |
| 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). |
用途
用途
有機合成用試薬。
使用
Tris(dibenzylideneacetone)dipalladium is used as a source of soluble Pd(0), in particular as a catalyst for various coupling reactions. Examples of reactions using this reagent are the Negishi coupling, Suzuki coupling, Carroll rearrangement, and Trost asymmetric allylic alkylation, as well as Buchwald–Hartwig amination