(4-甲基苯基)4-氰基苯甲酸酯 | 32792-63-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 中文名称: (4-甲基苯基)4-氰基苯甲酸酯
• 英文名称: p-tolyl 4-cyanobenzoate
• 英文别名: 4-Tolyl-p-cyanbenzoat；p-Cyanobenzoesaeure-(p-tolylester)；4-Methylphenyl 4-cyanobenzoate；(4-methylphenyl) 4-cyanobenzoate
• CAS: 32792-63-5
• 化学式: C₁₅H₁₁NO₂
• 分子量: 237.258
• InChiKey: KGPJCLWSEDMMGA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  50.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  对甲酚 、 dicobalt octacarbonyl 、 4-碘氰基苯 在 三乙胺 作用下， 以 甲苯 为溶剂， 反应 15.0h， 以84%的产率得到(4-甲基苯基)4-氰基苯甲酸酯
  参考文献：
  名称：

  Supramolecular Pd(II) complex of DPPF and dithiolate: An efficient catalyst for amino and phenoxycarbonylation using Co2(CO)8 as sustainable C1 source

  摘要：

  Highly active, efficient and robust "dppf ligated tetranuclear palladium dithiolate complex" was synthesized and applied as a catalyst for chemical fixation of carbon monoxide for the synthesis value added chemicals such as tertiary amide and aromatic esters. The synthesized catalyst was characterized using different analytical techniques such as elemental analysis, H-1 and P-31 NMR spectroscopy. The use of Co-2(CO)(8) as a cheap, less toxic and low melting solid surrogate are additional advantages over the current protocol. The catalyst showed superior activity towards the Amino (10(-3) mol % catalyst) and Phenoxycarbonylation (10(-2) mol % catalyst) and high TON (10(4) to 10(3)) and TOF (10(3) to 10(2) h(-1)). The Betol and Lintrin (active drug molecules) were synthesized under an optimized reaction condition. The scalability of the current protocol has been demonstrated up-to the gram level.

  DOI：

  10.1016/j.mcat.2019.110672

文献信息

• Oxime palladacycle in PEG as a highly efficient and recyclable catalytic system for phenoxycarbonylation of aryl iodides with phenols
  作者：Vinayak V. Gaikwad、Bhalchandra M. Bhanage

  DOI：10.1002/aoc.4741

  日期：2019.4

  developed a sustainable protocol for the synthesis of aromatic esters by a carbonylative method using di‐μ‐chlorobis [5‐hydroxy‐2‐[1‐(hydroxyimino‐ĸN) ethyl] phenyl‐ĸC] palladium (II) dimer (1) catalyst in PEG‐400 as a greener and recyclable solvent. The reaction is carried out at room temperature using CO in a balloon. Good to excellent yield of various esters can be synthesize using this protocol.

  在本报告中，我们开发了一种可持续的方案，该方案使用二μ-氯双[5-羟基-2- [1-（羟基亚氨基-N）乙基]苯基-C]钯（II）通过羰基化方法合成芳族酯）二聚体（1）在PEG-400中作为绿色和可回收溶剂的催化剂。该反应在室温下在气球中使用CO进行。使用该方案可以合成各种酯的良好或极好的收率。CO部分的直接插入导致高原子和阶梯经济性。与以前的协议相比，这种无膦的芳族酯合成方法具有较高的周转率（TON）和周转频率（TOF）。开发的方法具有使用常规钯前体的高转化率和选择性的替代途径。使用二乙醚作为溶剂可以轻松分离催化剂体系和产物。Pd / PEG-400系统可以重复使用多达五个连续周期，而不会损失其活性和选择性。
• SURFACE TREATMENT METHOD USING DISC-LIKE COMPOUND, (LUBRICATING) COMPOSITION FOR SURFACE TREATMENT, AND SURFACE-TREATED ARTICLE
  申请人：FUJIFILM Corporation

  公开号：EP1867704A1

  公开（公告）日：2007-12-19

  A surface treatment method comprising coating at least a part of a surface of an object with a composition comprising at least one type of discotic compound, and applying a temperature variation to the composition is disclosed.

  本发明公开了一种表面处理方法，包括在物体表面的至少一部分涂上包含至少一种变色化合物的组合物，并对组合物施加温度变化。
• Surface Treatment Method Employing Discotic Compound, (Lubricant) Composition to Be Used Surface Treatments, and Surface-Treated Articles
  申请人：Negoro Masayuki

  公开号：US20080134938A1

  公开（公告）日：2008-06-12

  A surface treatment method comprising coating at least a part of a surface of an object with a composition comprising at least one type of discotic compound, and applying a temperature variation to the composition is disclosed.
• IMPREGNATING OIL COMPOSITION FOR SINTERED BEARING, BEARING APPARATUS AND SLIDING MEMBER
  申请人：Negoro Masayuki

  公开号：US20090118146A1

  公开（公告）日：2009-05-07

  The novel impregnating oil composition for a sintered bearing is disclosed. The composition comprises a base oil, at least one compound represented by a formula (1). In the formula, D represents an m-valent cyclic group capable of binding to “m” of —X—R; each X represents a single bond or a bivalent linking group selected from the group consisting of NR 1 , where R 1 is a hydrogen atom or a C 1-30 alkyl group, oxygen, sulfur, carbonyl, sulfonyl and any combinations thereof; each R represents a substituted or non-substituted, alkyl group, alkenyl group, alkynyl group, aryl group or heterocyclic group, or a halogen atom, hydroxy, amino, mercapto, cyano, sulfide, carboxy or salt thereof, a sulfo or salt thereof, hydroxylamine, ureido or urethane; and m is an integer from 2 to 11.
• US4031028A
  申请人：——

  公开号：US4031028A

  公开（公告）日：1977-06-21