4-methylbenzyl 4-nitrobenzoate | 53218-09-0

• 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-methylbenzyl 4-nitrobenzoate
• 英文别名: p-Nitrobenzoesaeure-(p-methylbenzylester)；4-Nitrobenzoic acid 4-methylbenzyl ester；(4-methylphenyl)methyl 4-nitrobenzoate
• CAS: 53218-09-0
• 化学式: C₁₅H₁₃NO₄
• 分子量: 271.273
• InChiKey: AAAOOZKCQDDAJO-UHFFFAOYSA-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：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2916399090

反应信息

• 作为产物：
  描述：

  (4-甲基苯基)甲醇 、 对硝基苯甲醛 在 三乙烯二胺 、 维生素B1 作用下， 以 丙酮 为溶剂， 反应 24.0h， 以62%的产率得到4-methylbenzyl 4-nitrobenzoate
  参考文献：
  名称：

  维生素 B1 催化的芳香醛与醇的好氧氧化酯化反应

  摘要：

  已经开发了一种直接的芳基醛与醇的好氧氧化酯化反应，通过使用维生素 B1 作为一种经济高效、无金属且环保的 NHC 催化剂来合成取代酯。空气被用作绿色终端氧化剂。该反应是对现有 NHC 催化氧化酯化的有用补充。

  DOI：

  10.1039/d1ra05134b

文献信息

• Esterification of carboxylic acids with alkyl halides using imidazolium based dicationic ionic liquids containing bis-trifluoromethane sulfonimide anions at room temperature
  作者：Arvind H. Jadhav、Kyuyoung Lee、Sangho Koo、Jeong Gil Seo

  DOI：10.1039/c5ra00802f

  日期：——

  Task-specific RTILs of symmetrical N-methylimidazolium rings linked to an oligo (ethylene glycol) chain (cationic part) and bis-trifluoromethane sulfonimide (anionic part) were synthesized, and the physicochemical properties with catalytic activity were determined.

  将对称的N-甲基咪唑环与寡聚（乙二醇）链（阳离子部分）和双三氟甲磺酰亚胺（阴离子部分）相连的特定任务离子液体（Task-specific RTILs）合成，并确定其物理化学性质和催化活性。
• Organocatalytic Mitsunobu Reactions with 3,5-Dinitrobenzoic Acid
  作者：Patrick Toy、Tracy But、Jinni Lu

  DOI：10.1055/s-0029-1219795

  日期：2010.4

  A second generation procedure for organocatalytic Mitsunobu reactions using 3,5-dinitrobenzoic acid as the pro-nucleophile has been developed. The increased acidity of this acid compared to 4-nitrobenzoic acid, which was used in the original procedure, allowed for higher isolated yields of the desired products and eliminated formation of undesired acetate byproducts.

  已经开发了使用 3,5-二硝基苯甲酸作为亲核试剂的有机催化 Mitsunobu 反应的第二代程序。与原始程序中使用的 4-硝基苯甲酸相比，这种酸的酸度增加，可以提高所需产物的分离产率，并消除不需要的乙酸盐副产物的形成。
• Direct Radical Polymerization of 4-Styryldiphenylphosphine:  Preparation of Cross-Linked and Non-Cross-Linked Triphenylphosphine-Containing Polystyrene Polymers
  作者：Matthew Kwok Wai Choi、Helen Song He、Patrick H. Toy

  DOI：10.1021/jo035226+

  日期：2003.12.1

  We report herein a simple synthesis of 4-styryl-diphenylphosphine and the radical copolymerization of it with styrene, both with and without a cross-linker, to directly form cross-linked and non-cross-linked polystyrene supported triphenylphosphine in which the level of phosphine incorporation can be easily and accurately controlled. The utility of these polymers is demonstrated by their use in Mitsunobu and alcohol bromination reactions.
• Vitamin B1-catalyzed aerobic oxidative esterification of aromatic aldehydes with alcohols
  作者：Xin-Long Luo、Danhua Ge、Zi-Lun Yu、Xue-Qiang Chu、Pei Xu

  DOI：10.1039/d1ra05134b

  日期：——

  A straightforward aerobic oxidative esterification of aryl aldehydes with alcohols has been developed for the synthesis of substituted esters by employing vitamin B1 as a cost-effective, metal-free, and eco-friendly NHC catalyst. Air is used as a green terminal oxidant. The reaction is a useful addition to the existing NHC-catalytic oxidative esterification.

  已经开发了一种直接的芳基醛与醇的好氧氧化酯化反应，通过使用维生素 B1 作为一种经济高效、无金属且环保的 NHC 催化剂来合成取代酯。空气被用作绿色终端氧化剂。该反应是对现有 NHC 催化氧化酯化的有用补充。