4-cyanobenzoic acid n-propyl ester | 29240-32-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-cyanobenzoic acid n-propyl ester
• 英文别名: propyl 4-cyanobenzoate；4-cyano-benzoic acid propyl ester；4-Cyan-benzoesaeure-propylester；n-Propyl p-cyanobenzoat；n-Propyl-p-cyanbenzoat
• CAS: 29240-32-2
• 化学式: C₁₁H₁₁NO₂
• 分子量: 189.214
• InChiKey: KVXSVMQSMQCYJX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 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：

  丙醇 、 4-氰基苯甲醛 在 1-butyl-3-methylimidazolium azide 作用下， 以70%的产率得到4-cyanobenzoic acid n-propyl ester
  参考文献：
  名称：

  A facile and efficient [bmim]N3 catalyzed direct oxidative esterification of arylaldehydes with alcohols

  摘要：

  摘要 特定任务离子液体[bmim]N3被用作芳醛和醇直接氧化酯化反应的有效催化剂及反应介质。多种芳醛与一些初级和次级醇在[bmim]N3中顺利进行氧化酯化反应。对于含有电子吸引基团的芳醛，获得了令人满意的结果。在这些条件下，三级醇未发生反应。

  DOI：

  10.1016/j.crci.2012.08.004

文献信息

• Zinc-Catalyzed Esterification of <i>N</i> -β-Hydroxyethylamides: Removal of Directing Groups under Mild Conditions
  作者：Yuji Nishii、Takahiro Hirai、Sarah Fernandez、Paul Knochel、Kazushi Mashima

  DOI：10.1002/ejoc.201700748

  日期：2017.9.15

  Amide transformations involving C-N bond cleavage are recognized as difficult reactions owing to the inert nature of amides resulting from resonance. Accordingly, a strong inductive effect and geometrical distortion reasonably decrease the resonance stabilization to attenuate the C-N linkage. Although the conversion of such activated amides has been studied intensively, reaction systems for unactivated

  由于由共振引起的酰胺的惰性性质，涉及 CN 键断裂的酰胺转化被认为是困难的反应。因此，强感应效应和几何失真合理地降低了共振稳定性以衰减 CN 链接。尽管已经对此类活化酰胺的转化进行了深入研究，但未活化酰胺的反应体系尚未开发。我们在此报告了三氟甲磺酸锌 (II) [Zn(OTf)(2)] 催化剂在分子内酰基重排的帮助下实现了多种未活化的叔酰胺的酯化。该反应用于在温和的反应条件下一锅脱除各种酰胺基导向基团，以高产率得到相应的酯。
• Multicomponent Reaction: Palladium-Catalyzed Carbonylation of Aryl Halides and Alkyl Halides to Aromatic Esters
  作者：Fengxiang Zhu、Pengpeng Yin、Pengbo Zhang

  DOI：10.1021/acs.joc.2c01794

  日期：——

  A convenient four-component reaction has been developed that allows for the direct transformation of aryl iodides with alkyl halides into the corresponding aromatic esters and diesters via palladium-catalyzed carbonylation with water as solvent. Various esters and diesters were isolated in moderate to good yields with broad functional group tolerance.

  已经开发出一种方便的四组分反应，允许通过钯催化的以水为溶剂的羰基化将芳基碘与烷基卤化物直接转化为相应的芳族酯和二酯。各种酯和二酯以中等到良好的收率分离，具有广泛的官能团耐受性。
• Titanium-magnesium/manganese-aluminum catalyst and process for olefin polymerization
  申请人：PHILLIPS PETROLEUM COMPANY

  公开号：EP0002521A1

  公开（公告）日：1979-06-27

  Polymerization of alpha monoolefins employing a catalyst comprising (A) a component formed by intensive mixing (milling) of titanium halide, a Lewis base, anhydrous magnesium or manganese chloride, and an unsaturated additive, (B) trihydrocarbylaluminum and, optionally, a Lewis base, and optionally (C) a dihydrocarbyl aluminum halide.

  使用一种催化剂聚合α-单烯烃，该催化剂包括（A）由卤化钛、路易斯碱、无水氯化镁或氯化锰和不饱和添加剂经强化混合（研磨）形成的组分，（B）三氢羰基铝和可选的路易斯碱，以及可选的（C）二氢羰基卤化铝。
• Process for polymerizing butene-1
  申请人：PHILLIPS PETROLEUM COMPANY

  公开号：EP0002522A1

  公开（公告）日：1979-06-27

  Butene-1 is polymerized employing a catalyst system comprising (A) a component formed by intensive mixing (milling) of titanium halide, a Lewis base, anhydrous magnesium or manganese chloride, and an unsaturated additive (B) a trihydrocarbylaluminum, a further Lewis base and a dialkylaluminum halide.

  丁烯-1 采用一种催化剂体系进行聚合，该催化剂体系包括 (A) 一种由卤化钛、一种路易斯碱、无水氯化镁或氯化锰和一种不饱和添加剂通过强化混合（研磨）形成的组分 (B) 一种三氢羰基铝、另一种路易斯碱和一种二烷基卤化铝。
• Polymerization catalyst and process for polymerizing alpha-olefins
  申请人：PHILLIPS PETROLEUM COMPANY

  公开号：EP0012397A1

  公开（公告）日：1980-06-25

  Alpha-olefins are polymerized employing a catalyst which forms on mixing a catalyst component A formed by milling together a magnesium halide or manganous halide with selected catalyst adjuvants followed by treatment of the resulting milled product with a halogenated tetravalent titanium compound and combining the product thus formed with a cocatalyst component B comprising at least one of an organoaluminum compound and an organoaluminum monohalide with or without an aromatic ester as a part of the cocatalyst system.

  α-烯烃采用一种催化剂进行聚合，这种催化剂是通过将卤化镁或卤化锰与选定的催化剂辅助剂混合研磨形成催化剂组分 A，然后用卤代四价钛化合物对研磨产物进行处理，并将由此形成的产物与由有机铝化合物和有机铝单卤化物中的至少一种组成的助催化剂组分 B 相结合而形成的，助催化剂体系中可以有芳香族酯，也可以没有芳香族酯。