2,5-diethylbenzoic acid

• 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: 2,5-diethylbenzoic acid
• 英文别名: 2,5-diethyl-benzoic acid；2,5-Diaethyl-benzoesaeure
• 化学式: C₁₁H₁₄O₂
• 分子量: 178.231
• InChiKey: ZPXLHBBIXUFXFV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-(2,5-二乙基苯基)乙酮 在 sodium hypobromide 作用下， 生成 2,5-diethylbenzoic acid
  参考文献：
  名称：

  The Beckman Rearrangement. VIII. The Influence of Alkyl Groups on the Rates of Rearrangement of Acetophenone Oximes¹

  摘要：

  DOI：

  10.1021/ja01512a027

文献信息

• Efficient Chemoselective Carboxylation of Aromatics to Arylcarboxylic Acids with a Superelectrophilically Activated Carbon Dioxide−Al₂Cl₆/Al System
  作者：George A. Olah、Béla Török、Jens P. Joschek、Imre Bucsi、Pierre M. Esteves、Golam Rasul、G. K. Surya Prakash

  DOI：10.1021/ja020787o

  日期：2002.9.1

  organoaluminum intermediates (PhAlCl(2) and PhAl(2)Cl(5)). The other proceeds through the formation of various complexes of CO(2) with aluminum chloride (AlCl(3))(n), n = 1-4. The calculations have shown that the organometallic pathway, leading eventually through the formation of phenylaluminum dichloride, is endothermic by 33 kcal/mol. In contrast, the preferred CO(2)-AlCl(3) complex forms in an exothermic

  通过在中等温度（20-80 摄氏度）下使用二氧化碳-Al(2)Cl(6)/Al 系统对芳烃进行羧化，可以获得基本上不含二芳基酮的芳香羧酸。为了优化反应条件和研究反应机理，研究了温度、Al(2)Cl(6)/Al 用量、各种路易斯酸、金属添加剂的作用、二氧化碳压力等实验变量。发现羧化反应是化学计量的而不是催化的，氯化铝形成羧酸的二氯铝酸盐。尽管使用 AlCl(3) 本身进行羧化，但金属添加剂（尤其是 Al）的存在增加了羧酸的产率和选择性。由于无法根据实验结果区分两种可能的反应机理途径，因此还进行了使用密度泛函理论 (DFT) 的理论计算。一种可能的途径涉及苯和 Al(2)Cl(6) 之间的初始复合物，随后形成有机铝中间体（PhAlCl(2) 和 PhAl(2)Cl(5)）。另一个通过 CO(2) 与氯化铝 (AlCl(3))(n) 形成各种配合物进行，n = 1-4。计算表明，最终形成苯基二氯化铝的有机金属途径吸热
• INCLUSION COMPLEX CONTAINING EPOXY RESIN COMPOSITION FOR SEMICONDUCTOR ENCAPSULATION
  申请人：Ono Kazuo

  公开号：US20100179250A1

  公开（公告）日：2010-07-15

  It is to improve the storage stability of a sealant, to retain the flowability of the sealant when sealing, and to achieve an effective curing rate of the sealant by heating to be applicable as a sealant for delicate semiconductors. It is an epoxy resin composition for sealing a semiconductor, comprising the following component (A) and component (B). (A) an epoxy resin, (B) a clathrate complex comprising (b1) an aromatic carboxylic acid compound, and (b2) at least one imidazole compound represented by formula (II) (wherein R 2 represents a hydrogen atom, etc.; R 3 to R 5 represent a hydrogen atom, etc.).

  这是为了改善密封剂的储存稳定性，保持密封时密封剂的流动性，并通过加热实现密封剂的有效固化速率，以适用于精细半导体的密封剂。它是一种用于密封半导体的环氧树脂组合物，包括以下组分（A）和组分（B）。（A）环氧树脂，（B）包括（b1）芳香羧酸化合物和（b2）至少一种由式（II）表示的咪唑化合物的笼形复合物（其中R2表示氢原子等；R3至R5表示氢原子等）。
• SUBSTITUTED PIPERIDINYL-CARBOXAMIDE DERIVATIVES USEFUL AS SCD 1 INHIBITORS
  申请人：Janssen Pharmaceutica NV

  公开号：US20140364393A1

  公开（公告）日：2014-12-11

  The present invention is directed to novel piperidinyl-carboxamide derivatives, pharmaceutical compositions containing them and their use as inhibitors of SCD1, useful in the treatment of obesity, type-II diabetes and other related metabolic disorders.

  本发明涉及新型哌啶基-羧酰胺衍生物、包含它们的制药组合物以及它们作为SCD1抑制剂的用途，用于治疗肥胖症、2型糖尿病和其他相关代谢性疾病。
• COMPOSITION FOR FORMATION OF CURED EPOXY RESIN, AND CURED PRODUCTS THEREOF
  申请人：Nippon Soda Co., Ltd.

  公开号：EP2489689A1

  公开（公告）日：2012-08-22

  An object of the present invention is to provide a composition for the formation of a cured epoxy resin, wherein the composition can suppress a curing reaction at a low temperature to thereby enhance one-pack stability, and can also be subjected to a heating treatment to thereby effectively cure a resin. The present invention provides a composition for the formation of a cured epoxy resin, the composition comprising the following components (A), (B) and (C): (A) an epoxy resin; (B) a clathrate compound of a carboxylic acid derivative represented by formula (I):         R(COOH)n     (I); and an imidazole compound represented by formula (II); and (C) a tetrakisphenol type compound represented by formula (III).

  本发明的目的是提供一种用于形成固化环氧树脂的组合物，其中该组合物可以在低温下抑制固化反应，从而提高单包稳定性，还可以进行加热处理，从而有效地固化树脂。本发明提供了一种用于形成固化环氧树脂的组合物，该组合物包括以下组分（A）、（B）和（C）： (A) 环氧树脂； (B) 由式(I)代表的羧酸衍生物的凝块化合物： R(COOH)n (I)； 和式 (II) 所代表的咪唑化合物；以及 (C) 式 (III) 所代表的四联酚型化合物。
• CURABLE POWDER COATING COMPOSITION, AND CURED PRODUCT OF SAME
  申请人：Nippon Soda Co., Ltd.

  公开号：EP2573148A1

  公开（公告）日：2013-03-27

  Disclosed is an epoxy or epoxy-polyester curable powder coating composition which can form a favorable cured coating film excellent in adhesion and solvent resistance and is excellent in storage stability. The curable powder coating composition of the present invention contains the following component (A) and component (B): (A) an epoxy resin or an epoxy-polyester hybrid resin; and (B) a clathrate complex which contains (b1) at least one selected from the group consisting of a carboxylic acid compound and a tetrakisphenol compound represented by the following formula (I), and (b2) at least one selected from compounds represented by formula (II). The carboxylic acid compound preferably includes an aromatic carboxylic acid.

  本发明公开了一种环氧或环氧-聚酯可固化粉末涂料组合物，该组合物可形成附着力和耐溶剂性优异的固化涂膜，并具有出色的贮存稳定性。本发明的可固化粉末涂料组合物包含以下组分（A）和组分（B）：（A）环氧树脂或环氧-聚酯混合树脂；和（B）凝胶络合物，其中包含（b1）至少一种选自下式（I）所代表的羧酸化合物和四双酚化合物，以及（b2）至少一种选自下式（II）所代表的化合物。羧酸化合物最好包括芳香族羧酸。