[4-(diphenylphosphanyl)butyl]diphenylphosphane

• ChemBase编号: 70578
• 分子式: C28H28P2
• 平均质量: 426.469442
• 单一同位素质量: 426.16662416
• SMILES: C(CCCP(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
• Canonical SMILES: C(CP(c1ccccc1)c1ccccc1)CCP(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C28H28P2/c1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-12,15-22H,13-14,23-24H2
• InChIKey: BCJVBDBJSMFBRW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [4-(diphenylphosphanyl)butyl]diphenylphosphane
• IUPAC传统名: [4-(diphenylphosphanyl)butyl]diphenylphosphane
• 别名: 1,4-双(联苯基膦)丁烷; 1,4-双(二苯基膦)丁烷; 1,4-Bis(diphenylphosphino)butane; [4-(diphenylphosphanyl)butyl]diphenylphosphane; 1,4-Butanediylbis[diphenylphosphine]; 1,4-Butylenebis(diphenylphosphine); Tetramethylenebis(diphenylphosphine); dppb; 1,4-Bis(diphenylphosphino)butane

登记号

• CAS号: 7688-25-7
• EC号: 231-698-7
• MDL号: MFCD00003051
• Beilstein号: 706446
• PubChem SID: 162036293; 24848876; 24855845
• PubChem CID: 82124

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 7.6054
• LogD (pH = 7.4): 7.6054
• Log P: 7.6054
• 摩尔折射率: 131.0348 cm^3
• 极化性: 52.058743 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 132-136 °C(lit.); 132-136°C
• 疏水性(logP): 7.916
• 作为配体的用途: Alkylations; Heck Reaction; Isomerizations; Negishi Coupling; Sonogashira Coupling; Stille Coupling; Suzuki-Miyaura Coupling

安全信息

• 保存注意事项: IRRITANT
• 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; 36/38
• 安全公开号: 26-36; 26-37
• TSCA收录: false; 是
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335; H315-H319-H413
• GHS警示性声明: P261-P305+P351+P338-P302+P352-P321-P405-P501A; P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥98.0% (TLC); 95%; 95+%; 98%
• 级别: purum
• 线性分子式: (C6H5)2P(CH2)4P(C6H5)2

详细说明

MP Biomedicals - 05220505

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 261947

包装
5, 25 g in glass bottle
Application
作为配体用于 Pd(0)-催化的芳炔酰基氰化反应1以及烯丙氧基氨基甲酸酯的去保护反应。2

Sigma Aldrich - 14805

Other Notes
用于有机金属化学研究的双膦1,2,3,4,5

参考文献

• Chelating ligand.
• Component of a chiral Rh-based homogeneous hydrogenation catalyst: Org. Synth. Coll., 8, 16 (1993).
• The PdCl ₂ complex catalyzes the Suzuki coupling of heteroaryl chlorides with boronic acids with reported advantages over other catalysts: Tetrahedron Lett ., 32, 2273 (1991); Tetrahedron, 48, 8117 (1992).