[3-(diphenylphosphanyl)propyl]diphenylphosphane

• ChemBase编号: 70560
• 分子式: C27H26P2
• 平均质量: 412.442862
• 单一同位素质量: 412.15097409
• SMILES: C(CCP(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
• Canonical SMILES: C(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C27H26P2/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27/h1-12,14-21H,13,22-23H2
• InChIKey: LVEYOSJUKRVCCF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [3-(diphenylphosphanyl)propyl]diphenylphosphane
• IUPAC传统名: [3-(diphenylphosphanyl)propyl]diphenylphosphane
• 别名: 1,3-双(二苯基膦)丙烷; 1,3-双(二苯基磷烷基)丙烷; dppp; 1,3-Bis(diphenylphosphino)propane; 1,3-Bis(diphenylphosphino)propane; [3-(diphenylphosphanyl)propyl]diphenylphosphane

登记号

• CAS号: 6737-42-4
• EC号: 229-791-2
• MDL号: MFCD00003050
• Beilstein号: 2821785
• PubChem SID: 24855854; 162036275
• PubChem CID: 81219
• CHEMBL: 73394
• Chemspider ID: 73276
• 维基百科标题: 1,3-Bis(diphenylphosphino)propane

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 7.1541
• LogD (pH = 7.4): 7.1541
• Log P: 7.1541
• 摩尔折射率: 126.3902 cm^3
• 极化性: 50.2117 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: chlorocarbons in water
• 外观: white solid
• 熔点: 58-63°C; 63 - 65°C; 63-65 °C(lit.)
• 疏水性(logP): 7.387
• 作为配体的用途: Carbonylations; C-C Bond Formation; Negishi Coupling; Sonogashira Coupling; Suzuki-Miyaura Coupling

安全信息

• 保存注意事项: Air Sensitive; 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
• 安全公开号: 26-37/39; 26-37-60
• 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
• GHS警示性声明: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: 95%; 95+%; 97%
• 线性分子式: (C6H5)2PCH2CH2CH2P(C6H5)2

详细说明

Sigma Aldrich - 262048

包装
1, 5, 25 g in glass bottle

参考文献

• Chelating phosphorus ligand which forms a 1:1 complex with NiCl₂, which is an efficient catalyst for the coupling of Grignard reagents with aryl, vinylic or heterocyclic halides: Bull. Chem. Soc. Jpn.,49, 1958 (1976); Tetrahedron, 38, 3347 (1982); Synthesis, 386 (1988).
• Successful Suzuki coupling of arylboronic acids with aryl chlorides bearing electron-withdrawing groups was achieved in the presence of Palladium(II) acetate, 10516, and dppp: Tetrahedron Lett., 38, 5575 (1997).