bis(tri-tert-butylphosphane) palladium

• ChemBase编号: 78239
• 分子式: C24H54P2Pd
• 平均质量: 511.053082
• 单一同位素质量: 510.27356099
• SMILES: P(C(C)(C)C)(C(C)(C)C)C(C)(C)C.P(C(C)(C)C)(C(C)(C)C)C(C)(C)C.[Pd]
• Canonical SMILES: CC(P(C(C)(C)C)C(C)(C)C)(C)C.CC(P(C(C)(C)C)C(C)(C)C)(C)C.[Pd]
• InChI: InChI=1S/2C12H27P.Pd/c2*1-10(2,3)13(11(4,5)6)12(7,8)9;/h2*1-9H3
• InChIKey: MXQOYLRVSVOCQT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: bis(tri-tert-butylphosphane) palladium
• IUPAC传统名: bis(tri-tert-butylphosphane) palladium
• 别名: 双(三叔丁基膦)钯(0); Bis[tris(tert-butyl)phosphine]palladium(0), Pd 20.9%; Pd(t-Bu3P)2; Bis(tri-tert-butylphosphine)palladium(0)

登记号

• CAS号: 53199-31-8
• MDL号: MFCD03094580
• PubChem SID: 24884857; 162043029
• PubChem CID: 2734558

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 2.3845654
• LogD (pH = 7.4): 2.3847759
• Log P: 2.5937
• 摩尔折射率: 68.517 cm^3
• 极化性: 25.590317 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

分子性质

理化性质

• 外观: Powder, packaged under inert atmosphere
• 熔点: 258-272 °C; 258-272°C

安全信息

• 保存注意事项: Irritant/Light Sensitive/Air Sensitive/Moisture Sensitive/Store under Argon/Store at -20°C; Light, Air & Moisture Sensitive
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-37
• TSCA收录: 否
• GHS危险品标识: GHS07
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 保存温度: -20°C

产品相关信息

• 纯度: Pd 20.9%
• Empirical Formula (Hill Notation): C24H54P2Pd

详细说明

Sigma Aldrich - 676578

包装
1 g in glass bottle
250 mg in glass bottle
Application

• Catalyst for Suzuki coupling on a multisubstituted sp3-carbon1 (eq. 1)
• Catalyst for Stille coupling reaction of aryl chlorides2 (eq. 2)
• Catalyst for Negishi coupling reaction3 (eq. 3)
• Catalyst for Heck coupling to form tetrasubstituted olefins4 (eq. 4)
• Catalyst for Buchwald-Hartwig amination of aryl halide5 (eq. 5)
• Catalyst for carbonylation of aryl halides with carbamoylsilanes6 (eq. 6)