2,6-dimethyl-4-nitrobenzoic acid chloride | 39728-43-3

• 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 chloride
• 英文别名: 2,6-Dimethyl-4-nitrobenzoylchlorid；2,6-Dimethyl-4-nitro-benzoylchlorid；4-Nitro-2,6-dimethyl-benzoylchlorid；2,6-Dimethyl-4-nitrobenzoyl chloride
• CAS: 39728-43-3
• 化学式: C₉H₈ClNO₃
• 分子量: 213.62
• InChiKey: SEDPXEHPKSLDJV-UHFFFAOYSA-N

物化性质

• 熔点：
  60.5-61.5 °C
• 沸点：
  168.9-169 °C(Press: 21 Torr)
• 密度：
  1.333±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  62.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,6-dimethyl-4-nitrobenzoic acid chloride 以 1,2-二氯乙烷 为溶剂， 反应 0.5h， 生成 (2,6-Dimethyl-4-nitrophenyl)-(2,4-dimethylphenyl)methanone
  参考文献：
  名称：

  芳香酰化反应中亲电试剂反应的第一个明确证据1

  摘要：

  芳香族化合物与芳酰基三氟甲磺酸酯的酰化反应可以在有机溶剂（1,2-二氯乙烷）中进行，无需使用 Friedel-Crafts 催化剂。这些反应条件允许对均匀溶液中的反应进行动力学研究。速率测量表明，在所有情况下，芳酰基三氟甲磺酸酯 1、6 和 11 主要解离为相应的酰基离子，随后与芳香族化合物反应。决速步骤，无论是芳酰基三氟甲磺酸酯的解离还是酰基离子与芳烃的反应，都可以从实验数据中明确指定。从在过量碱存在下的动力学测量给出了酰基离子作为反应亲电试剂在所有研究情况下的明确证据。

  DOI：

  10.1021/ja9624331
• 作为产物：
  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

文献信息

• Quinazoline derivatives as antitumor agents
  申请人：Hennequin Francois Andre Laurent

  公开号：US20070088044A1

  公开（公告）日：2007-04-19

  The invention concerns quinazoline derivatives of Formula (I); wherein each of Q<1>, Q<2>, Z, R<1>, R<2>, R<3>, and m have any of the meanings defined in the description; processes for their preparation, pharmaceutical compositions containing them and their use in the manufacture of a medicament for use in the prevention or treatment of tumours which are sensitive to inhibition of erbB receptor tyrosin kinases.

  本发明涉及公式（I）的喹唑啉衍生物；其中Q <1>，Q <2>，Z，R <1>，R <2>，R <3>和m中的每个都具有描述中定义的任何含义；它们的制备过程，含有它们的制药组合物以及它们在制造用于预防或治疗对erbB受体酪氨酸激酶抑制敏感的肿瘤的药物中的使用。
• Diamino compounds and methods for preparing them
  申请人：CHISSO CORPORATION

  公开号：EP0708077A1

  公开（公告）日：1996-04-24

  An object of the invention is to propose diamino compounds expressed by the following general formula (1) which are suitable to obtain a raw material, a polyimide resin, for a liquid crystal aligning film without any image sticking and with a high voltage holding ratio at from a low temperature to a high temperature as well as the preparation thereof: wherein, (a) when R²⁵ being a hydrogen atom and D being , all of R¹¹, R¹², R¹³ and R¹⁴ denote a hydrogen atom, and R²¹, R²², R²³, R²⁴, R³¹, R³², R³³, R³⁴, R⁴¹, R⁴², R⁴³ and R⁴⁴ denote independently each other a hydrogen atom or an alkyl group with 1 to 8 carbon atoms, (b) when R²⁵ being a hydrogen atom and D being , all of R¹¹, R¹², R¹³ and R¹⁴ denote a hydrogen atom, and R²¹ and R³², R²² and R³¹, R²³ and R³⁴, as well as R²⁴ and R³³ are respectively the same atoms or groups and denote independently each other hydrogen atoms or straight-chain or branched alkyl groups with 1 to 8 carbon atoms, and R⁴¹, R⁴², R⁴³, R⁴⁴, R⁵¹, R⁵², R⁵³ and R⁵⁴ denote independently each other a hydrogen atom or an alkyl group with 1 to 8 carbon atoms, (c) when R²⁵ being a hydrogen atom and D being a divalent straight-chain or branched hydrocarbon group with 2 to 30 carbon atoms, R¹¹, R¹², R¹³ and R¹⁴ denote independently a hydrogen atom or a straight-chain or branched alkyl group with 1 to 8 carbon atoms, and R²¹ and R³², R²² and R³¹, R²³ and R³⁴ as well as R²⁴ and R³³ are respectively the same atoms or groups and denote independently each other hydrogen atoms or straight-chain or branched alkyl groups with 1 to 8 carbon atoms, (d) when R²⁵ being a straight-chain or branched alkyl group with 1 to 12 carbon atoms, D denotes a direct bond, an aliphatic group with 1 to 30 carbon atoms, an aromatic group with 6 to 30 carbon atoms, or a divalent hydrocarbon group with 7 to 30 carbon atoms having both an aliphatic group and an aromatic group, R¹¹, R¹², R¹³ and R¹⁴ denote independently a hydrogen atom or a straight-chain or branched alkyl group with 1 to 8 carbon atoms, and R²¹ and R³², R²² and R³¹, R²³ and R³⁴ as well as R²⁴ and R³³ are respectively the same atoms or groups and denote independently each other hydrogen atoms or straight-chain or branched alkyl groups with 1 to 8 carbon atoms.

  本发明的目的是提出由以下通式（1）表示的二氨基化合物及其制备方法，这些化合物适用于获得用于液晶对准膜的原材料--聚酰亚胺树脂，在低温至高温条件下不会产生任何图像粘连，并具有较高的电压保持率： 其中 (a) 当 R²⁵ 是氢原子且 D 是 时，所有R¹¹、R¹²、R¹³和R¹⁴均表示氢原子，而R²¹、R²²、R²³、R²⁴、R³¹、R³²、R³³、R³⁴、R⁴¹、R⁴²、R⁴³和R⁴⁴相互独立地表示氢原子或具有1至8个碳原子的烷基、 (b) 当 R²⁵为氢原子且 D 时，所有 R¹¹、R¹²、R¹³ 和 R¹⁴ 均表示氢原子，R²¹ 和 R³²、R²² 和 R³¹、R²³ 和 R³⁴，以及 R²⁴ 和 R³³ 分别是相同的原子或基团，并各自独立地表示氢原子或具有 1 至 8 个碳原子的直链或支链烷基、和 R⁴¹、R⁴²、R⁴³、R⁴⁴、R⁵¹、R⁵²、R⁵³ 和 R⁵⁴ 相互独立地表示氢原子或具有 1 至 8 个碳原子的烷基、 (c) 当 R²⁵ 为氢原子且 D 为具有 2 至 30 个碳原子的二价直链或支链烃基时，R¹¹、R¹²、R¹³ 和 R¹⁴ 相互独立地表示氢原子或具有 1 至 8 个碳原子的直链或支链烷基、和 R²¹ 和 R³²、R²² 和 R³¹、R²³ 和 R³⁴ 以及 R²⁴ 和 R³³ 分别是相同的原子或基团，并各自独立地表示氢原子或具有 1 至 8 个碳原子的直链或支链烷基、 (d) 当 R²⁵ 是具有 1 至 12 个碳原子的直链或支链烷基时，D 表示直接键、具有 1 至 30 个碳原子的脂肪族基团、具有 6 至 30 个碳原子的芳香族基团或具有 7 至 30 个碳原子且同时具有脂肪族基团和芳香族基团的二价烃基，R¹¹、R¹²、R¹¹、R¹²、R¹³ 和 R¹⁴ 独立地表示氢原子或具有 1 至 8 个碳原子的直链或支链烷基，R²¹ 和 R³²、R²² 和 R³¹、R²³ 和 R³⁴ 以及 R²⁴ 和 R³³ 分别是相同的原子或基团，并独立地表示氢原子或具有 1 至 8 个碳原子的直链或支链烷基。
• 1-2-(Pyridinyl)piperazine derivatives with antianaphylactic, antibronchospastic and mast cell stabilizing activities
  作者：Alberto Catto、Gianni Motta、Alberto Tajana、Pietro Cazzulani、Dante Nardi、Amedeo Leonardi

  DOI：10.1021/jm00384a002

  日期：1987.1

  New 1-(2-pyridinyl)piperazine derivatives were synthesized and tested as inhibitors of the reaginic passive cutaneous anaphylaxis in the rat (PCA), of the histamine-induced bronchospasm in the guinea pig, and of the rat mesenteric mast cell degranulation induced by compound 48/80. On the basis of test results, a series of N-(substituted phenyl)-omega-[4-(2-pyridinyl)-1-piperazinyl]alkanamides was prepared. The nature of substituents at the anilide ring strongly influenced mast cell stabilizing activity, whereas it was less determining in the case of the other two tests. No clear correlation between the most common physicochemical parameters (pi, sigma, Vw volume) of substituents and activity could be detected. With regard to the position of substituents at the anilide ring, the rank order of potency, in the PCA and bronchoconstriction tests, was para greater than meta greater than ortho. Introduction of substituents in the 1-(2-pyridinyl)piperazinyl moiety of the N-(substituted phenyl)propanamide derivatives hardly affected activity, or the effect was deleterious. Some of the new compounds exhibited a simultaneous remarkable activity in all the three assays employed.
• Ugi,I.; Beck,F., Chemische Berichte, 1961, vol. 94, p. 1839 - 1850
  作者：Ugi,I.、Beck,F.

  DOI：——

  日期：——
• 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.