cis-1,2-C6H10(CO2CH2CH(CH3)2) | 901311-95-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: cis-1,2-C6H10(CO2CH2CH(CH3)2)
• 英文别名: bis(2-methylpropyl) (1S,2R)-cyclohexane-1,2-dicarboxylate
• CAS: 901311-95-3
• 化学式: C₁₆H₂₈O₄
• 分子量: 284.396
• InChiKey: QUKHPBOCBWDYMW-OKILXGFUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  20
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  cis-1,2-C6H10(CO2CH2CH(CH3)2) 、 四氯化钛 以 正庚烷 为溶剂， 生成 TiCl4(cis-1,2-di-isobutyl cyclohexanoate)
  参考文献：
  名称：

  TiCl4 diester complexes: Relationships between the crystal structures and properties of Ziegler-Natta catalysts

  摘要：

  The crystal structures of seven diester-TiCl4 complexes, where diester is CH2(CO2CH2CH3)2 (1), (CH3)2C2(CO2CH2CH3)2 (2), (CH3CH2)2C(CO2CH2CH3)2 (3), cis-C2H2(CO2CH2CH3)2 (4), cis-CHCCH3(CO2CH2CH3)2 (5), o-C6H4(CO2CH3)2 (6) and cis-1,2-C6H10[CO2CH2CH(CH3)2]2 (7), have been determined by X-ray diffraction studies. All the diesters form monomeric complexes with TiCl4, and the titanium atom is coordinated by four chlorine atoms and two carbonyl oxygen atoms of diester in the cis position. Correlation structure with catalytic behaviour have been investigated.

  DOI：

  10.1016/0022-328x(93)83108-8

文献信息

• TiCl4 diester complexes: Relationships between the crystal structures and properties of Ziegler-Natta catalysts
  作者：Heikki J. Kakkonen、Jouni Pursiainen、Tapani A. Pakkanen、Markku Ahlgrén、Eero Iiskola

  DOI：10.1016/0022-328x(93)83108-8

  日期：1993.7

  The crystal structures of seven diester-TiCl4 complexes, where diester is CH2(CO2CH2CH3)2 (1), (CH3)2C2(CO2CH2CH3)2 (2), (CH3CH2)2C(CO2CH2CH3)2 (3), cis-C2H2(CO2CH2CH3)2 (4), cis-CHCCH3(CO2CH2CH3)2 (5), o-C6H4(CO2CH3)2 (6) and cis-1,2-C6H10[CO2CH2CH(CH3)2]2 (7), have been determined by X-ray diffraction studies. All the diesters form monomeric complexes with TiCl4, and the titanium atom is coordinated by four chlorine atoms and two carbonyl oxygen atoms of diester in the cis position. Correlation structure with catalytic behaviour have been investigated.