2-乙基-4-硝基苯甲酰氯 | 101870-47-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-乙基-4-硝基苯甲酰氯
• 英文名称: 2-ethyl-4-nitrobenzoyl chloride
• 英文别名: 2-ethyl-4-nitro-benzoyl chloride；2-Aethyl-4-nitro-benzoylchlorid
• CAS: 101870-47-7
• 化学式: C₉H₈ClNO₃
• 分子量: 213.62
• InChiKey: GCIAWCGKMWRBFM-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：
  2
• 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-乙基-4-硝基苯甲酰氯 在 氢气 、 钯 、 三乙胺 作用下， 以 乙醇 、 N,N-二甲基乙酰胺 、 N,N-二甲基甲酰胺 为溶剂， 20.0 ℃ 、303.99 kPa 条件下， 反应 169.33h， 生成
  参考文献：
  名称：

  Structure-Based Selectivity Optimization of Piperidine–Pteridine Derivatives as Potent Leishmania Pteridine Reductase Inhibitors

  摘要：

  The upregulation of pteridine reductase (PTR1) is a major contributor to antifolate drug resistance in Leishmania spp., as it provides a salvage pathway that bypasses dihydrofolate reductase (DHFR) inhibition. The structure-based optimization of the PTR1 inhibitor methyl-1-[4-(2,4-diaminopteridin-6-ylmethylamino)benzoyl]-piperidine-4-carboxylate (1) led to the synthesis of a focused compound library which showed significantly improved selectivity for the parasite's folate-dependent enzyme. When used in combination with pyrimethamine, a DHFR inhibitor, a synergistic effect was observed for compound 5b. This work represents a step forward in the identification of effective antileishmania agents.

  DOI：

  10.1021/jm300563f
• 作为产物：
  描述：

  2-乙基苯甲酸 在 氯化亚砜 、 硫酸 、 硝酸 、 溶剂黄146 作用下， 生成 2-乙基-4-硝基苯甲酰氯
  参考文献：
  名称：

  Riemschneider; Kassahn, Chemische Berichte, 1959, vol. 92, p. 1705,1708

  摘要：

  DOI：

文献信息

• Diamino compounds and their production method and liquid crystal alignment layers using the compounds
  申请人：CHISSO CORPORATION

  公开号：EP0601813A1

  公开（公告）日：1994-06-15

  The present invention provides diamino compounds useful as polymerisation raw materials for production of liquid crystal alignment layers having excellent voltage holding ratios without development of image-sticking phenomena, a method for producing the compounds and liquid crystal display devices having the liquid crystal alignment layers. The diamino compounds are represented by the general formula (1): wherein R indicates hydrogen or an alkyl group having 1 to 8 carbon atoms, further, X, Y and Z indicate hydrogen, an alkyl group having 1 to 3 carbon atoms or fluorine, respectively, and some or all of them may be the same or different, and the positions of these substitutive groups may be ortho positions or meta positions.

  本发明提供了可用作聚合原料的二氨基化合物，用于生产具有优异的电压保持比且不会产生图像粘连现象的液晶配向层，还提供了生产该化合物的方法以及具有该液晶配向层的液晶显示设备。 二氨基化合物用通式（1）表示： 其中，R 表示氢或具有 1 至 8 个碳原子的烷基，此外，X、Y 和 Z 分别表示氢、具有 1 至 3 个碳原子的烷基或氟，它们中的部分或全部可以相同或不同，这些取代基的位置可以是正位或偏位。
• 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。
• US5382688A
  申请人：——

  公开号：US5382688A

  公开（公告）日：1995-01-17
• US5501884A
  申请人：——

  公开号：US5501884A

  公开（公告）日：1996-03-26
• US5663440A
  申请人：——

  公开号：US5663440A

  公开（公告）日：1997-09-02