dichloromethane tris[(triphenylacetyl)oxy]dirhodium-1-yl 2,2,2-triphenylacetate

• ChemBase编号: 143515
• 分子式: C81H62Cl2O8Rh2
• 平均质量: 1440.07118
• 单一同位素质量: 1438.1931823
• SMILES: c1ccc(cc1)C(c1ccccc1)(c1ccccc1)C(=O)O[Rh](OC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1)[Rh](OC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1)OC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl
• Canonical SMILES: O=C(C(c1ccccc1)(c1ccccc1)c1ccccc1)O[Rh]([Rh](OC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1)OC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1)OC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl
• InChI: InChI=1S/4C20H16O2.CH2Cl2.2Rh/c4*21-19(22)20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1-3;;/h4*1-15H,(H,21,22);1H2;;/q;;;;;2*+2/p-4
• InChIKey: SRAMLXDHXNCYQM-UHFFFAOYSA-J

名称和登记号

名称

• IUPAC标准名: dichloromethane tris[(triphenylacetyl)oxy]dirhodium-1-yl 2,2,2-triphenylacetate
• IUPAC传统名: methylene chloride tris[(triphenylacetyl)oxy]dirhodium-1-yl 2,2,2-triphenylacetate
• 别名: 三苯基乙酸铑; 四(三苯基醋酸基)二铑(II); 三苯基乙酸铑(II)二聚体; Rh2(TPA)4; Rh2(triphenylacetate)4; Rhodiumtriphenylacetate; Tetrakis(triphenylacetato)dirhodium(II); Rhodium(II) triphenylacetate dimer

登记号

• CAS号: 142214-04-8
• EC号: 200-838-9
• MDL号: MFCD15071082
• PubChem SID: 162237734
• PubChem CID: 71310968

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 21.8024
• LogD (pH = 7.4): 21.8024
• Log P: 21.8024
• 摩尔折射率: 346.3264 cm^3
• 极化性: 142.77298 Å^3
• 极化表面积: 105.2 Å^2
• 可自由旋转的化学键: 25
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 260-263 °C

安全信息

• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 2
• 危险公开号: 40
• 安全公开号: 23-24/25-36/37
• GHS危险品标识: GHS08
• GHS警示词: Warning
• GHS危险声明: H351
• GHS警示性声明: P281

产品相关信息

• Empirical Formula (Hill Notation): C80H60O8Rh2 · CH2Cl2

详细说明

Sigma Aldrich - 725455

包装
100 mg in glass bottle
Application
Catalyst for:
• Amination of allene carbamates1
• Allene aziridination to stereoselectively prepare cyclic cabamates2
• C-H bond nitrene insertion3
• Enantioselective cyclopropanation4,5
• Preparation of cyclic oxonium ylides6