5-(1,7-Dichloro-4-methylheptan-4-yl)-2-hydroxy-3-methylbenzaldehyde | 1207204-16-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-(1,7-Dichloro-4-methylheptan-4-yl)-2-hydroxy-3-methylbenzaldehyde
• CAS: 1207204-16-7
• 化学式: C₁₆H₂₂Cl₂O₂
• 分子量: 317.255
• InChiKey: CUENWRASGXSMAV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  20
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-(1,7-Dichloro-4-methylheptan-4-yl)-2-hydroxy-3-methylbenzaldehyde 在 sodium iodide 作用下， 以 乙腈 为溶剂， 以83%的产率得到5-(1,7-Diiodo-4-methylheptan-4-yl)-2-hydroxy-3-methylbenzaldehyde
  参考文献：
  名称：

  NOVEL COORDINATION COMPLEXES AND PROCESS OF PRODUCING POLYCARBONATE BY COPOLYMERIZATION OF CARBON DIOXIDE AND EPOXIDE USING THE SAME AS CATALYST

  摘要：

  提供了一种由含铵盐配体制备的复合物，其具有使金属中心带有2或更高负电荷的平衡结构式，以及一种利用该复合物作为催化剂通过环氧化合物和二氧化碳的共聚合制备聚碳酸酯的方法。当该复合物被用作环氧化合物和二氧化碳的共聚合催化剂时，表现出高活性和高选择性，并提供高分子量的聚碳酸酯，因此易于应用于商业过程。此外，在使用该复合物作为催化剂通过二氧化碳/环氧化合物共聚合制备聚碳酸酯后，催化剂可以从共聚物中单独回收。

  公开号：

  US20120165549A1
• 作为产物：
  描述：

  1,7-dichloro-4-methylheptan-4-ol 在 aluminum (III) chloride 、 三乙胺 、 magnesium chloride 作用下， 以 四氢呋喃 为溶剂， 反应 5.0h， 生成 5-(1,7-Dichloro-4-methylheptan-4-yl)-2-hydroxy-3-methylbenzaldehyde
  参考文献：
  名称：

  NOVEL COORDINATION COMPLEXES AND PROCESS OF PRODUCING POLYCARBONATE BY COPOLYMERIZATION OF CARBON DIOXIDE AND EPOXIDE USING THE SAME AS CATALYST

  摘要：

  提供了一种由含铵盐配体制备的复合物，其具有使金属中心带有2或更高负电荷的平衡结构式，以及一种利用该复合物作为催化剂通过环氧化合物和二氧化碳的共聚合制备聚碳酸酯的方法。当该复合物被用作环氧化合物和二氧化碳的共聚合催化剂时，表现出高活性和高选择性，并提供高分子量的聚碳酸酯，因此易于应用于商业过程。此外，在使用该复合物作为催化剂通过二氧化碳/环氧化合物共聚合制备聚碳酸酯后，催化剂可以从共聚物中单独回收。

  公开号：

  US20120165549A1

文献信息

• CO₂/ethylene oxide copolymerization and ligand variation for a highly active salen–cobalt(<scp>iii</scp>) complex tethering 4 quaternary ammonium salts
  作者：Jong Yeob Jeon、Jung Jae Lee、Jobi Kodiyan Varghese、Sung Jae Na、S. Sujith、Min Jeong Go、Junseong Lee、Myung-Ahn Ok、Bun Yeoul Lee

  DOI：10.1039/c2dt31854g

  日期：——

  A cobalt(III) complex (1) of a salcy-type ligand tethering 4 quaternary ammonium salts, which is thought to act as a highly active catalyst for CO2/propylene oxide (PO) copolymerization, also shows high activity (TOF, 25 900 h−1; TON, 518 000; 2.72 kg polymer per g cat) and selectivity (>98%) for CO2/ethylene oxide (EO) copolymerization that results in high-molecular-weight polymers (Mn, 200 000–300 000) that have strictly alternating repeating units. The related cobalt(III) complexes 11–14 were prepared through variations of the ligand framework of 1 by replacing the trans-1,2-diaminocyclohexane unit with 2,2-dimethyl-1,3-propanediamine, trans-1,2-diaminocyclopentane, or 1,1′-binaphthyl-2,2′-diamine or by replacing the aldimine bond with ketimine. These ligand frameworks are thought to favour the formation of the cis-β configuration in complexation, and the formation of the cis-β configuration in 11–14 was confirmed through NMR studies or X-ray crystallographic studies of model complexes not bearing the quaternary ammonium salts. Complexes 11, 13, and 14, which adopt the cis-β configuration even in DMSO did not show any activity for CO2/PO copolymerization. Complex 12, which was constructed with trans-1,2-diaminocyclopentane and fluctuated in DMSO between the coordination and de-coordination of the acetate ligand as observed for 1, showed fairly high activity (TOF, 12 400 h−1). This fluctuating behaviour may play a role in polymerization. However, complex 12 did not compete with 1 in terms of activity, selectivity, and the catalyst cost.

  被认为是二氧化碳/环氧丙烷（PO）共聚的高活性催化剂的盐类配体钴（III）配合物（1），在二氧化碳/环氧乙烷（EO）共聚方面也显示出高活性（TOF，25900 h1；TON，518000；2.72 kg polymer per g cat）和选择性（>98%），可用于二氧化碳/环氧乙烷（EO）共聚，产生具有严格交替重复单元的高分子量聚合物（Mn，200â000â300â000）。通过将反式-1,2-二氨基环己烷单元替换为 2,2-二甲基-1,3-丙二胺、反式-1,2-二氨基环戊烷或 1,1â²-联萘-2,2â²-二胺，或将醛亚胺键替换为酮亚胺，制备出了相关的钴(III)配合物 11â14。这些配体框架被认为有利于在络合过程中形成顺δ构型，11â14 中顺δ构型的形成已通过核磁共振研究或不含季铵盐的模型络合物的 X 射线晶体学研究得到证实。即使在二甲基亚砜（DMSO）中也采用顺δ² 构型的络合物 11、13 和 14 没有显示出任何 CO2/PO 共聚活性。络合物 12 是用反式-1,2-二氨基环戊烷构建的，在二甲基亚砜中乙酸配体的配位和去配位之间起伏不定，正如在 1 中观察到的那样，它显示出相当高的活性（TOF，12â400 hâ1）。这种波动行为可能在聚合过程中起了作用。不过，就活性、选择性和催化剂成本而言，复合物 12 无法与 1 竞争。
• Novel Coordination complexes and process of producing polycarbonate by copolymerization of carbon dioxide and epoxide using the same as catalyst
  申请人：Ok Myungahn

  公开号：US20100029896A1

  公开（公告）日：2010-02-04

  Provided are a complex prepared from ammonium salt-containing ligands and having such an equilibrium structural formula that the metal center takes a negative charge of 2 or higher, and a method for preparing polycarbonate via copolymerization of an epoxide compound and carbon dioxide using the complex as a catalyst. When the complex is used as a catalyst for copolymerizing an epoxide compound and carbon dioxide, it shows high activity and high selectivity and provides high-molecular weight polycarbonate, and thus easily applicable to commercial processes. In addition, after forming polycarbonate via carbon dioxide/epoxide copolymerization using the complex as a catalyst, the catalyst may be separately recovered from the copolymer.
• NOVEL COORDINATION COMPLEXES AND PROCESS OF PRODUCING POLYCARBONATE BY COPOLYMERIZATION OF CARBON DIOXIDE AND EPOXIDE USING THE SAME CATALYST
  申请人：Ok Myungahn

  公开号：US20120178899A1

  公开（公告）日：2012-07-12

  Provided are a complex prepared from ammonium salt-containing ligands and having such an equilibrium structural formula that the metal center takes a negative charge of 2 or higher, and a method for preparing polycarbonate via copolymerization of an epoxide compound and carbon dioxide using the complex as a catalyst. When the complex is used as a catalyst for copolymerizing an epoxide compound and carbon dioxide, it shows high activity and high selectivity and provides high-molecular weight polycarbonate, and thus easily applicable to commercial processes. In addition, after forming polycarbonate via carbon dioxide/epoxide copolymerization using the complex as a catalyst, the catalyst may be separately recovered from the copolymer.
• CATALYSTS FOR EPOXIDE CARBONYLATION
  申请人：Novomer, Inc.

  公开号：US20170080409A1

  公开（公告）日：2017-03-23

  The present invention encompasses catalysts for the carbonylation of heterocycles such as ethylene oxide, as well as methods for their use. The catalysts feature Lewis acidic metal complexes having one or more tethered metal-coordinating groups in combination with at least one metal carbonyl species. In preferred embodiments, the inventive catalysts have improved stability when subjected to product separation conditions in continuous ethylene oxide carbonylation processes.
• US8507733B2
  申请人：——

  公开号：US8507733B2

  公开（公告）日：2013-08-13