λ2-iron(2+) ion bis(3-(diphenylphosphanyl)cyclopenta-2,4-dien-1-ide)

• ChemBase编号: 125081
• 分子式: C34H28FeP2
• 平均质量: 554.378642
• 单一同位素质量: 554.10156166
• SMILES: c1ccc(cc1)P(c1ccccc1)C1=C[CH-]C=C1.[CH-]1C=CC(=C1)P(c1ccccc1)c1ccccc1.[Fe+2]
• Canonical SMILES: c1ccc(cc1)P(c1ccccc1)C1=C[CH-]C=C1.c1ccc(cc1)P(c1ccccc1)C1=C[CH-]C=C1.[Fe+2]
• InChI: InChI=1S/2C17H14P.Fe/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;/h2*1-14H;/q2*-1;+2
• InChIKey: KZPYGQFFRCFCPP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: λ^2-iron(2+) ion bis(3-(diphenylphosphanyl)cyclopenta-2,4-dien-1-ide)
• IUPAC传统名: λ^2-iron(2+) ion bis(3-(diphenylphosphanyl)cyclopenta-2,4-dien-1-ide)
• 别名: 1,1′-双(二苯基膦)二茂铁; 锆离子载体 I; 1,1′-二茂铁二基-双(二苯基膦); 1,1′-双(二苯基膦)二茂铁; 1,1'-双(二-苯基膦基)二茂铁; 1,1′-Bis(diphenylphosphino)ferrocene; Zirconium ionophore I; Cyclopentadienyldiphenylphosphine; 1,1'-Ferrocendiylbis(diphenylphosphine); 1,1'- Bis( diphenylphosphino) ferrocene; 1,1'- Ferrocenediyl- bis(diphenylphosphinee; Dppe; 1,1'- Ferrocenebis (diphenylphosphine); 1,1'-Bis(diphenylphosphino)ferrocene; dppf; 1,1′-Ferrocenediyl-bis(diphenylphosphine); 1,1′-Bis(diphenylphosphino)ferrocene; 1,1'-Ferrocenebis(diphenylphosphine); 1,1'-Bis(diphenylphosphino)ferrocene

登记号

• CAS号: 12150-46-8
• EC号: 430-420-3
• MDL号: MFCD00001422
• PubChem SID: 24848885; 24850625; 162219431
• PubChem CID: 635956; 15182658
• CHEBI ID: 30743
• Chemspider ID: 21865114
• 维基百科标题: 1,1'-Bis(diphenylphosphino)ferrocene

理论计算性质

• Acid pKa: 13.124334
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 3.7805
• LogD (pH = 7.4): 3.7804992
• Log P: 5.308
• 摩尔折射率: 77.2799 cm^3
• 极化性: 30.728716 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

• 熔点: 181-182 °C (dec.)(lit.); 181-183 °C; 181-183 °C (dec.); ca 182°C dec.
• 作为配体的用途: Buchwald-Hartwig Cross Coupling Reaction; Carbonylations; Ene Reaction; Heck Reaction; Negishi Coupling; Sonogashira Coupling; Stille Coupling; Suzuki-Miyaura Coupling; Tsuji-Trost Reaction

安全信息

• 保存注意事项: Air 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; R25
• 安全公开号: 26-37; S28A S45
• TSCA收录: 否
• GHS危险品标识: GHS07
• 主要危害: Toxic
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥97.0% (C); 97%
• 级别: purum; Selectophore™
• 品质说明: function tested
• Empirical Formula (Hill Notation): C34H28FeP2

详细说明

Sigma Aldrich - 177261

Application
用作 Pd(II) 催化的交叉偶联反应合成氧氮杂卓环体系的配体。1
General description
通过钯-膦催化的 C-C 和 C-O 键顺序成键反应制备新型官能化呋喃衍生物。2
包装
1, 10, 25 g in glass bottle

Sigma Aldrich - 14816

Other Notes
过渡金属络合物是格氏试剂与有机卤化物和相关化合物进行交叉偶联反应的有效催化剂1,2,3

Sigma Aldrich - 68646

General description
请访问 传感器应用门户网站 了解更多信息。
法律信息
Selectophore 商标 Sigma-Aldrich GmbH

Toronto Research Chemicals - B430350

Commonly used coordination compound in synthesis, readily forms complexes with various metals, i.e. when reacting with the acetonitrile or benzonitrile complexes of PdCl2 it forms (dppf)PdCl2, which is a popular reagent for palladium-catalyzed coupling re

参考文献

• Nataro, C., et al.: J. Chem. Ed., 86, 1412 (2009)
• Hindered bidentate ligand used in, for example, the Ni-catalyzed Suzuki-type crossed coupling of arylboronic acids with aryl mesylates to give biaryls: J. Org. Chem., 60, 1060, 1066 (1995), and of thiophenolates with aryl mesylates to give unsymmetrical diaryl sulfides: J. Org. Chem., 60, 6895 (1995).