{2-[2-(diphenylphosphanyl)phenoxy]phenyl}diphenylphosphane

• ChemBase编号: 151021
• 分子式: C36H28OP2
• 平均质量: 538.554442
• 单一同位素质量: 538.16153878
• SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1Oc1ccccc1P(c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)P(c1ccccc1Oc1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C36H28OP2/c1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1-28H
• InChIKey: RYXZOQOZERSHHQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {2-[2-(diphenylphosphanyl)phenoxy]phenyl}diphenylphosphane
• IUPAC传统名: {2-[2-(diphenylphosphanyl)phenoxy]phenyl}diphenylphosphane
• 别名: 双[(2-二苯膦基)苯基]醚; 双(2-二苯基磷苯基)醚; DPEPhos; Bis[(2-diphenylphosphino)phenyl] ether; (Oxydi-2,1-phenylene)bis(diphenylphosphine); Bis[(2-diphenylphosphino)phenyl] ether; Bis[2-(diphenylphosphino)phenyl] ether; (Oxybis(2,1-phenylene))bis(diphenylphosphine)

登记号

• CAS号: 166330-10-5
• EC号: 000-000-0
• MDL号: MFCD00233863
• Beilstein号: 7729718
• PubChem SID: 24873467; 162245180
• PubChem CID: 4285986

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 9.5956
• LogD (pH = 7.4): 9.5956
• Log P: 9.5956
• 摩尔折射率: 163.4286 cm^3
• 极化性: 64.61491 Å^3
• 极化表面积: 9.23 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

• 熔点: 178-181°C; 184-187 °C(lit.)
• 作为配体的用途: Buchwald-Hartwig Cross Coupling Reaction; Heck Reaction; Hydroaminations; Negishi Coupling; Suzuki-Miyaura Coupling

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: 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
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: 95+%; 97%; 98%
• 线性分子式: O[C6H4P(C6H5)2]2

详细说明

Sigma Aldrich - 510017

包装
25 g in glass bottle

参考文献

• Bidentate ligand, investigated in Rh-catalyzed regioselective hydroformylation of olefins: Organometallics, 14, 3081 (1995). Reported by Buchwald to be highly effective in promoting the Pd-catalyzed N-arylation of anilines: Tetrahedron Lett., 39, 5327 (1998).