bis(chlororhodium); bis(cycloocta-1,5-diene)

• ChemBase编号: 126807
• 分子式: C16H24Cl2Rh2
• 平均质量: 493.07876
• 单一同位素质量: 491.93651413
• SMILES: Cl[Rh].Cl[Rh].C1=CCCC=CCC1.C1CC=CCCC=C1
• Canonical SMILES: C1CC=CCCC=C1.C1CC=CCCC=C1.[Rh]Cl.[Rh]Cl
• InChI: InChI=1S/2C8H12.2ClH.2Rh/c2*1-2-4-6-8-7-5-3-1;;;;/h2*1-2,7-8H,3-6H2;2*1H;;/q;;;;2*+1/p-2
• InChIKey: QSUDXYGZLAJAQU-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: bis(chlororhodium); bis(cycloocta-1,5-diene)
• IUPAC传统名: bis(1,5-cyclooctadiene); bis(chlororhodium)
• 别名: 1,5-环辛二烯氯铑(I)二聚体; 二聚氯代(1,5-环辛二烯)铑(I); 双(1,5-环辛二烯氯化铑); 环辛二烯络氯化铑; (1,5-环辛二烯)氯铑(I)二聚体; (1,5-环辛二烯)氯化铑(I)二聚体; 1,5-环辛二烯氯化铑(I)二聚体; 氯(1,5-环辛二烯)铑(I)二聚体; 氯化铑(I) 1,5-环辛二烯络合物二聚体; 双(1,5-环辛二烯)氯化铑(I)二聚体; Cyclooctadiene rhodium chloride dimer; Cyclooctadiene rhodium chloride dimer; [Rh(COD)Cl]2; 1,5-Cyclooctadienerhodium(I) chloride dimer; Bis(1,5-cyclooctadiene)dirhodium(I) dichloride; Di-μ-chlorobis[(1,2,5,6-η)-1,5-cyclooctadiene]dirhodium; Rhodium(I) chloride 1,5-Cyclooctadiene complex dimer; Chloro(1,5-cyclooctadiene)rhodium(I) dimer; Chloro(1,5-cyclooctadiene)rhodium(I) dimer; Bis(1,5-cyclooctadiene)dirhodium(I) dichloride

登记号

• CAS号: 12092-47-6
• EC号: 235-157-6
• MDL号: MFCD00012415
• PubChem SID: 24853665
• Chemspider ID: 21171524
• 维基百科标题: Cyclooctadiene_rhodium_chloride_dimer

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 2.832706
• LogD (pH = 7.4): 2.832706
• Log P: 2.832706
• 摩尔折射率: 39.0412 cm^3
• 极化性: 14.319889 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: dichloromethane; Sparingly soluble in most common solvents
• 外观: Crystalline
• 熔点: ~255 °C (dec.)(lit.); 216.3-219.2 °C; 243 °C; 243 °C (dec.)(lit.); 243°C dec.

安全信息

• 保存注意事项: Air Sensitive & Hygroscopic
• 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
• TSCA收录: 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
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: 2-8°C

产品相关信息

• 纯度: 98%
• 级别: purum
• Empirical Formula (Hill Notation): C16H24Cl2Rh2

详细说明

Sigma Aldrich - 683132

包装
2 g in glass bottle
500 mg in glass bottle
Legal Information
Umicore 产品
Application
Umicore Precatalysts for Asymmetric and Cross-Coupling CatalysisEfficient and Selective Catalysts for Asymmetric Synthesis

Sigma Aldrich - 227951

包装
5 g in glass bottle
500 mg in glass bottle
Application
Umicore Precatalysts for Asymmetric and Cross-Coupling CatalysisEfficient and Selective Catalysts for Asymmetric Synthesis
用于 1,3-二烯与活性碳氢化合物偶联和制备手性络合剂的催化剂。

参考文献

• Homogeneous catalyst and catalyst precursor. For use in the preparation of a chiral BINAP alkene isomerization catalyst, see: Org. Synth. Coll., 8, 183 (1993).
• Catalyzes the dehydrogenative coupling reaction of styrenes with Pinacolborane, L17558 to give the corresponding vinylboronates: Tetrahedron Lett., 40, 2585 (1999); Bull. Chem. Soc. Jpn., 75, 825 (2002). The complex has also been found to promote the atmospheric pressure carbonylation of benzylic halides to give good yields of phenylacetic acids: Tetrahedron Lett., 41, 7601 (2000).
• Miyaura has reported the Rh-catalyzed conjugate addition of arylboronic acids to ɑ?-unsaturated carbonyl compounds in a single aqueous phase: Chem. Lett., 722 (2001):