4-Nitro-2,3,5,6-tetramethyl-benzoylchlorid | 99859-96-8

• 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-Nitro-2,3,5,6-tetramethyl-benzoylchlorid
• 英文别名: 2,3,5,6-Tetramethyl-4-nitrobenzoyl chloride
• CAS: 99859-96-8
• 化学式: C₁₁H₁₂ClNO₃
• 分子量: 241.674
• InChiKey: IMXRMUUVGNXTCM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 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：

  4-Nitro-2,3,5,6-tetramethyl-benzoylchlorid 在 palladium on activated charcoal sodium hydroxide 、 氢气 作用下， 以 甲醇 、 苯 为溶剂， 20.0 ℃ 、413.69 kPa 条件下， 反应 4.0h， 生成 Benzamide, 4-amino-N-(2-(4-(2-pyridinyl)-1-piperazinyl)ethyl)-2,3,5,6-tetramethyl-
  参考文献：
  名称：

  1-2-(Pyridinyl)piperazine derivatives with antianaphylactic, antibronchospastic and mast cell stabilizing activities

  摘要：

  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.

  DOI：

  10.1021/jm00384a002

文献信息

• 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。
• CATTO A.; MOTTA G.; TAJANA A.; CAZZULANI P.; NARDI D.; LEONARDI A., J. MED. CHEM., 30,(1987) N 1, 13-19
  作者：CATTO A.、 MOTTA G.、 TAJANA A.、 CAZZULANI P.、 NARDI D.、 LEONARDI A.

  DOI：——

  日期：——
• US5663440A
  申请人：——

  公开号：US5663440A

  公开（公告）日：1997-09-02
• 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.