[2,6-bis({[bis(piperidin-1-yl)phosphanyl]amino})phenyl](chloro)palladium

• ChemBase编号: 136282
• 分子式: C26H45ClN6P2Pd
• 平均质量: 645.496222
• 单一同位素质量: 644.19043241
• SMILES: c1cc(c(c(c1)NP(N1CCCCC1)N1CCCCC1)[Pd]Cl)NP(N1CCCCC1)N1CCCCC1
• Canonical SMILES: Cl[Pd]c1c(cccc1NP(N1CCCCC1)N1CCCCC1)NP(N1CCCCC1)N1CCCCC1
• InChI: InChI=1S/C26H45N6P2.ClH.Pd/c1-5-16-29(17-6-1)33(30-18-7-2-8-19-30)27-25-14-13-15-26(24-25)28-34(31-20-9-3-10-21-31)32-22-11-4-12-23-32;;/h13-15,27-28H,1-12,16-23H2;1H;/q;;+1/p-1
• InChIKey: CSXBAGCRLXPPDX-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: [2,6-bis({[bis(piperidin-1-yl)phosphanyl]amino})phenyl](chloro)palladium
• IUPAC传统名: [2,6-bis({[bis(piperidin-1-yl)phosphanyl]amino})phenyl](chloro)palladium
• 别名: [2,6-双[(二-1-哌啶基膦)氨基]苯基]氯化钯(II); [2,6-Bis[(di-1-piperidinylphosphino)amino]phenyl]palladium(II) chloride

登记号

• CAS号: 955035-37-7
• MDL号: MFCD17019351
• PubChem SID: 162230552
• PubChem CID: 54713738

理论计算性质

• Acid pKa: 16.312399
• 质子受体: 6
• 质子供体: 2
• LogD (pH = 5.5): 2.2544034
• LogD (pH = 7.4): 2.601651
• Log P: 2.9579
• 摩尔折射率: 158.2694 cm^3
• 极化性: 64.243416 Å^3
• 极化表面积: 37.02 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: false

分子性质

安全信息

• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 38
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315

产品相关信息

• 纯度: ≥98.0% (AT)
• Empirical Formula (Hill Notation): C26H45ClN6P2Pd

详细说明

Sigma Aldrich - 727733

Application
Palladium catalyst for CC coupling reactions1,2,3,4
• Performs Suzuki reactions at low loadings1
• High activity at ppm levels for Heck reactions4 and Sonogashira couplings2
包装
100 mg in glass bottle