bis(chloro(prop-2-en-1-yl)palladium)

• ChemBase编号: 125698
• 分子式: C6H10Cl2Pd2
• 平均质量: 365.8896
• 单一同位素质量: 363.82292768
• SMILES: Cl[Pd]CC=C.C=CC[Pd]Cl
• Canonical SMILES: Cl[Pd]CC=C.Cl[Pd]CC=C
• InChI: InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q;;;;2*+1/p-2
• InChIKey: TWKVUTXHANJYGH-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: bis(chloro(prop-2-en-1-yl)palladium)
• IUPAC传统名: bis(chloro(prop-2-en-1-yl)palladium)
• 别名: 烯丙基氯化钯二聚物 ChemDose™ 片; 氯化烯丙基钯二聚物; 烯丙基氯化钯(II)二聚体; Allylpalladium chloride dimer ChemDose™ tablet; Allylpalladium chloride dimer; bis(allyl)di-μ-chloro-dipalladium(II); APC; Allylpalladium chloride dimer; [PdCl(C3H5)]2; Allylpalladium(II) chloride dimer; Bis(allyl)dichlorodipalladium(II); Allylchloropalladium dimer; Bis(allyl)dichlorodipalladium; Bis(allyl)dichloropalladium; Bis(allylchloropalladium); Diallyldichlorodipalladium; [PdCl(allyl)]2

登记号

• CAS号: 12012-95-2
• EC号: 234-579-8
• MDL号: MFCD00044874
• Beilstein号: 4124623
• PubChem SID: 24853328; 162220048
• PubChem CID: 61538
• Chemspider ID: 21171401
• 维基百科标题: Allylpalladium_chloride_dimer

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 1.366
• LogD (pH = 7.4): 1.366
• Log P: 1.366
• 摩尔折射率: 21.0513 cm^3
• 极化性: 12.545582 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; benzene; acetone; methanol; Insoluble in water; Very soluble in dichloromethane and dichloroethane. Slightly soluble in toluene, insoluble in water
• 外观: Pale yellow, crystalline solid; Powder
• 熔点: 120°C dec.; decomp at 155-156 °C
• 密度: Solid

安全信息

• 保存注意事项: Air & Moisture Sensitive
• RTECS编号: RT3510000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi); 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 36/37/38; 40
• 安全公开号: 26-36; 26-37-60; 36/37
• TSCA收录: 否
• GHS危险品标识: GHS07; GHS08
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335; H351
• GHS警示性声明: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A; P281
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges; dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98.0% (CH); 98%; Pd 56.0% min
• 级别: purum
• 主要成分: allylpalladium chloride dimer, <5%; magnesium aluminometasilicate, >90%; methylene chloride, <5%
• Empirical Formula (Hill Notation): C6H10Cl2Pd2

详细说明

Sigma Aldrich - 683396

包装
5 g in glass bottle
500 mg in glass bottle
Legal Information
Umicore 产品。
Application
Application Guide for Palladium Catalyzed Cross-Coupling Reactions
Umicore Precatalysts for Asymmetric and Cross-Coupling Catalysis

Sigma Aldrich - 705020

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
包装
10, 100 tablets in glass bottle
Application
Application Guide for Palladium Catalyzed Cross-Coupling ReactionsChemDose: Convenient Dosing of Catalysts and Reagents
法律信息
ChemDose 商标 Reaxa Ltd.

Sigma Aldrich - 222380

Application
交叉偶联反应的催化剂。1与简单烯烃2和烯醇醚3进行 Heck 偶联反应。
Application Guide for Palladium Catalyzed Cross-Coupling Reactions
包装
1, 5 g in glass bottle
500 mg in glass bottle

Sigma Aldrich - 06050

Other Notes
重要的钯催化剂1,2；用于烯烃的烯丙基钯化反应的试剂3
Application
Application Guide for Palladium Catalyzed Cross-Coupling Reactions

参考文献

• Reacts with lithium enolates of esters, in the presence of CO and excess TMEDA, to give good yields of ɑ-cyclopropyl esters: Angew. Chem. Int. Ed., 31, 234 (1992).
• Used in combination with a chiral diamine to effect displacement of a mesylate with Trimethylsilyl azide, L00173, in the asymmetric synthesis of (+)-pancratistin: J. Am. Chem. Soc., 117, 10143 (1995).