2,6-dimethyl-4-nitrobenzoic acid | 90564-17-3

• 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: 2,6-dimethyl-4-nitrobenzoic acid
• 英文别名: 2,6-dimethyl-4-nitro-benzoic acid；2,6-Dimethyl-4-nitro-benzoesaeure；4-Nitro-2,6-dimethyl-benzoesaeure；2,6-Dimethyl-4-nitrobenzoesaeure
• CAS: 90564-17-3
• 化学式: C₉H₉NO₄
• mdl: MFCD09702142
• 分子量: 195.175
• InChiKey: HIKAFGPYNTXIGG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  83.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,6-dimethyl-4-nitrobenzoic acid 在 N,N-二甲基甲酰胺 草酰氯 作用下， 以 二氯甲烷 为溶剂， 生成 2,6-dimethyl-4-nitrobenzoic acid chloride
  参考文献：
  名称：

  取代基对芳族堆积相互作用的影响。

  摘要：

  合成的超分子拉链配合物已用于量化取代基对芳族堆积相互作用的自由能的影响。配合物的构象性质已使用NMR光谱在CDCl（3）中进行了表征，并与模型化合物的固态结构进行了比较。配合物的结构相似性使得有可能应用双重突变循环方法来评估24种不同的芳香族堆积相互作用的幅度。可以使用基于两个芳香环pi面之间的静电相互作用的简单模型来合理化相互作用能的主要趋势。然而，由于堆叠几何结构的轻微偏移，一个环的取代基与另一个环的pi面之间的静电相互作用产生了额外的贡献。

  DOI：

  10.1039/b617576g
• 作为产物：
  描述：

  2,6-dimethyl-4-nitrobenzoic acid chloride 在 水 作用下， 以 丙酮 为溶剂， 生成 2,6-dimethyl-4-nitrobenzoic acid
  参考文献：
  名称：

  Ugi,I.; Beck,F., Chemische Berichte, 1961, vol. 94, p. 1839 - 1850

  摘要：

  DOI：

文献信息

• [EN] MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE<br/>[FR] DÉRIVÉS DE MAYTANSINOÏDE, CONJUGUÉS DE CEUX-CI, ET PROCÉDÉS D'UTILISATION
  申请人：REGENERON PHARMA

  公开号：WO2016160615A1

  公开（公告）日：2016-10-06

  Provided herein are maytansinoid derivatives, conjugates thereof, and methods of treating or preventing proliferative diseases with the same.

  本文提供了马替西酚衍生物、其共轭物以及使用它们治疗或预防增生性疾病的方法。
• Fluorinated Dicarboxylic Acid Derivative and Polymer Obtained Therefrom
  申请人：Isono Yoshimi

  公开号：US20110301305A1

  公开（公告）日：2011-12-08

  According to the present invention, a polymer is obtained by polycondensation of a fluorinated dicarboxylic acid derivative of the general formula (M-1) or an acid anhydride of the fluorinated dicarboxylic acid with a polyfunctional compound having two to four reactive groups corresponding in reactivity to carbonyl moieties of the fluorinated dicarboxylic acid derivative or acid anhydride. [Chem. 134] AOCF 2 C-Q-CF 2 COA′  (M-1) In the above formula, Q represents a divalent organic group having a substituted or unsubstituted aromatic ring; and A and A′ each independently represent an organic group. This polymer exhibits a sufficiently low dielectric constant for use as a semiconductor protection film and has the capability of forming a film at a relatively low temperature of 250° C. or lower.

  根据本发明，通过将通式(M-1)的含氟二羧酸衍生物或含氟二羧酸酸酐与具有与含氟二羧酸衍生物或酸酐的羰基部分相对应的两到四个反应性基团的多官能化合物进行聚合缩合反应，可以得到一种聚合物。[Chem. 134]AOCF2C-Q-CF2COA′  (M-1)在上述公式中，Q代表具有取代或未取代芳香环的二价有机基团; A和A'各自独立地表示有机基团。该聚合物表现出足够低的介电常数，可用作半导体保护膜，并具有在相对较低的温度下（250℃或更低）形成膜的能力。
• 2,6-Dimethyl-4-nitrobenzoic Anhydride (DMNBA): An Effective Coupling Reagent for the Synthesis of Carboxylic Esters and Lactones
  作者：Isamu Shiina、Ryo Miyao

  DOI：10.3987/com-08-s(n)96

  日期：——

  Various carboxylic esters are obtained at room temperature in excellent yields with high chemoselectivities from nearly equimolar amounts of carboxylic acids and alcohols using 2,6-dimethyl-4-nitrobenzoic anhydride with triethylamine by the promotion of 4-(dimethylamino)pyridine. The efficiency of the esterification is compared to those of other dehydrations using substituted benzoic anhydrides as coupling reagents. This method was successfully applied to the synthesis of threo-aleuritic acid lactone and the desired 17-membered ring compound was prepared in high yield at room temperature from the corresponding free trihydroxycarboxylic acid using 2,6-dimethyl-4-nitrobenzoic anhydride in the presence of 4-(dimethylamino)pyridine.
• Multiple bond-conjugated photoinduced nitric oxide releaser working with two-photon excitation
  作者：Kazuhiro Hishikawa、Hidehiko Nakagawa、Toshiaki Furuta、Kiyoshi Fukuhara、Hiroki Tsumoto、Takayoshi Suzuki、Naoki Miyata

  DOI：10.1016/j.bmcl.2009.10.120

  日期：2010.1

  Four novel nitric oxide (NO) releasers working via two-photon excitation (TPE), based on an acceptor-donor-acceptor (A-D-A) molecular design, were synthesized. Their decomposition and NO release in response to one-photon excitation, and their decomposition in response to two-photon excitation were examined. Their photoinduced decomposition characteristics are discussed. (c) 2009 Elsevier Ltd. All rights reserved.
• Hoefnagel,M.A. et al., Recueil des Travaux Chimiques des Pays-Bas, 1961, vol. 80, p. 608 - 622
  作者：Hoefnagel,M.A. et al.

  DOI：——

  日期：——