benzylbis(3R,5S,7s)-adamantan-1-ylphosphane

• ChemBase编号: 141306
• 分子式: C27H37P
• 平均质量: 392.556441
• 单一同位素质量: 392.26328781
• SMILES: c1ccc(cc1)CP([C@@]12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3)[C@@]12C[C@H]3C[C@@H](C1)C[C@H](C2)C3
• Canonical SMILES: C1[C@@H]2C[C@@H]3C[C@@H]1C[C@](C2)(C3)P([C@]12C[C@H]3C[C@@H](C2)C[C@@H](C1)C3)Cc1ccccc1
• InChI: InChI=1S/C27H37P/c1-2-4-19(5-3-1)18-28(26-12-20-6-21(13-26)8-22(7-20)14-26)27-15-23-9-24(16-27)11-25(10-23)17-27/h1-5,20-25H,6-18H2/t20-,21+,22-,23-,24+,25-,26-,27-
• InChIKey: ANIAFEJRWQDKDV-ANIFQACUSA-N

名称和登记号

名称

• IUPAC标准名: benzylbis(3R,5S,7s)-adamantan-1-ylphosphane
• IUPAC传统名: benzylbis(3R,5S,7s)-adamantan-1-ylphosphane
• 别名: 苄基二金刚烷基膦; cataCXium® ABn; Di(1-adamantyl)benzylphosphine

登记号

• CAS号: 395116-70-8
• MDL号: MFCD05861603
• Beilstein号: 9359745
• PubChem SID: 162235540
• PubChem CID: 11271420

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.3375263
• LogD (pH = 7.4): 5.337606
• Log P: 5.5221
• 摩尔折射率: 122.848 cm^3
• 极化性: 47.40076 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false

分子性质

安全信息

• 德国WGK号: 3
• 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%
• Empirical Formula (Hill Notation): C27H37P

详细说明

Sigma Aldrich - 671800

General description
与 Solvias AG 联合销售
包装
1, 5 g in glass bottle
Legal Information
US7148176
法律信息
cataCXium 注册商标 Evonik Degussa GmbH
Application
Catalyst for:
• Sonogashira coupling reaction1
• Ruthenium-catalyzed amination of secondary alcohols. with ammonia2
• Rhodium-catalyzed regioselective hydroformylation of alkenes3
• Reductive carbonylation4
• Suzuki coupling reaction5
Protocols & Applications
Efficient Suzuki Coupling with cataCXium Ligands and Complexes