2-甲基-4-氨基苯甲酰氯- | 90531-76-3

• 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-甲基-4-氨基苯甲酰氯-
• 英文名称: 4-Amino-2-methylbenzoyl chloride
• CAS: 90531-76-3
• 化学式: C₈H₈ClNO
• 分子量: 169.611
• InChiKey: UCVRRSDHEDFYQT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  43.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-甲基-4-氨基苯甲酰氯- 在 三乙烯二胺 、 甲醇 、 一氯化碘 、 calcium carbonate 、 potassium hydroxide 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 64.08h， 生成 3,6-dimethyl-1H-indole-2,5-dicarboxylic acid
  参考文献：
  名称：

  NMR evaluation of interactions between substituted-indole and PDZ1 domain of PSD-95

  摘要：

  We synthesized small organic molecules designed as PDZ ligands. These indole-based compounds were evaluated for their interaction with the PDZ1 domain of the post-synaptic density 95 (PSD-95) protein. Three molecules were found to interact with the targeted PDZ protein by NMR. One of them showed chemical shift perturbations closely related to the natural ligands. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.04.011
• 作为产物：
  描述：

  2-甲基-4-硝基苯甲酰氯 在 palladium on carbon 、 氢气 作用下， 以 甲醇 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 24.0h， 生成 2-甲基-4-氨基苯甲酰氯-
  参考文献：
  名称：

  NMR evaluation of interactions between substituted-indole and PDZ1 domain of PSD-95

  摘要：

  We synthesized small organic molecules designed as PDZ ligands. These indole-based compounds were evaluated for their interaction with the PDZ1 domain of the post-synaptic density 95 (PSD-95) protein. Three molecules were found to interact with the targeted PDZ protein by NMR. One of them showed chemical shift perturbations closely related to the natural ligands. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.04.011

文献信息

• INSECTICIDAL COMPOUNDS
  申请人：Maienfisch Peter

  公开号：US20120295907A1

  公开（公告）日：2012-11-22

  The present invention relates to bis-amide derivatives of formula (I), to processes and intermediates for preparing them, to methods of using them to control insect, acarine, nematode and mollusc pests, and to insecticidal, acaricidal, nematicidal and molluscicidal compositions comprising them.

  本发明涉及公式（I）的双酰胺衍生物，以及制备它们的过程和中间体，使用它们控制昆虫、螨、线虫和软体动物害虫的方法，以及包含它们的杀虫、杀螨、杀线虫和杀软体动物的组合物。
• [(Arylcarbonyl)oxy]propanolamines. 1. Novel .beta.-blockers with ultrashort duration of action
  作者：Sheung Tsam Kam、William L. Matier、Khuong X. Mai、Cynthia Barcelon-Yang、Robert J. Borgman、John P. O'Donnell、Herman F. Stampfli、Check Y. Sum、William G. Anderson

  DOI：10.1021/jm00374a013

  日期：1984.8

  Novel [(arylcarbonyl)oxy]propanolamines were synthesized and investigated as potential ultrashort-acting beta-adrenergic receptor blockers. Many of these analogues exhibited good potency and short duration. The N-ureidoalkyl analogue 85 (ACC-9089) has a potency equal to propranolol and a duration of action of about 21 min in the dog. It has been selected as a candidate for further clinical study. Structure-activity relationships and structure-duration relationships for these new beta-blockers are also discussed.
• NMR evaluation of interactions between substituted-indole and PDZ1 domain of PSD-95
  作者：Alexandre Vogrig、Benjamin Boucherle、Hemantkumar Deokar、Isabelle Thomas、Isabelle Ripoche、Lu-Yun Lian、Sylvie Ducki

  DOI：10.1016/j.bmcl.2011.04.011

  日期：2011.6

  We synthesized small organic molecules designed as PDZ ligands. These indole-based compounds were evaluated for their interaction with the PDZ1 domain of the post-synaptic density 95 (PSD-95) protein. Three molecules were found to interact with the targeted PDZ protein by NMR. One of them showed chemical shift perturbations closely related to the natural ligands. (C) 2011 Elsevier Ltd. All rights reserved.