2-(isopropylamino)-6-nitrobenzonitrile | 1093203-66-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-(isopropylamino)-6-nitrobenzonitrile
• 英文别名: 2-Nitro-6-[(propan-2-yl)amino]benzonitrile；2-nitro-6-(propan-2-ylamino)benzonitrile
• CAS: 1093203-66-7
• 化学式: C₁₀H₁₁N₃O₂
• 分子量: 205.216
• InChiKey: LVOPYCWJKDKMDS-UHFFFAOYSA-N

物化性质

• 沸点：
  382.4±37.0 °C(Predicted)
• 密度：
  1.21±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  81.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(isopropylamino)-6-nitrobenzonitrile 在 盐酸 作用下， 以 甲醇 、 水 为溶剂， 以100%的产率得到2-amino-6-(isopropylamino)benzonitrile
  参考文献：
  名称：

  METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER

  摘要：

  本发明包括在甜味增强剂暴露于光源时稳定一个或多个甜味增强剂的方法，以及包含一个或多个甜味增强剂和一个或多个光稳定剂的液体组合物。

  公开号：

  US20120041078A1
• 作为产物：
  描述：

  N-(2-hydroxyl-1,1-dimethylethyl) benzamide 以 正己烷 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 生成 2-(isopropylamino)-6-nitrobenzonitrile
  参考文献：
  名称：

  METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER

  摘要：

  本发明包括在甜味增强剂暴露于光源时稳定一个或多个甜味增强剂的方法，以及包含一个或多个甜味增强剂和一个或多个光稳定剂的液体组合物。

  公开号：

  US20120041078A1

文献信息

• MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH
  申请人：Tachdjian Catherine

  公开号：US20110224155A1

  公开（公告）日：2011-09-15

  The present invention includes methods for identifying modifiers of chemosensory receptors and their ligands, e.g., by determining whether a test entity is suitable to interact with one or more interacting sites within the Venus flytrap domains of the chemosensory receptors, and modifiers capable of modulating chemosensory receptors and their ligands. The present invention also includes modifiers of chemosensory receptors and their ligands having Formula (I), its subgenus, and specific compounds. Furthermore, the present invention includes ingestible compositions comprising the modifiers of chemosensory receptors and their ligands and methods of using the modifiers of chemosensory receptors and their ligands to enhance the sweet taste of an ingestible composition or treat a condition associated with a chemosensory receptor. In addition, the present invention include processes for preparing the modifiers of chemosensory receptors and their ligands.

  本发明包括识别化学感受受体及其配体的修饰剂的方法，例如通过确定测试实体是否适合与化学感受受体的捕蝇草结构域中的一个或多个相互作用位点发生相互作用，并且能够调节化学感受受体及其配体的修饰剂。本发明还包括化学感受受体及其配体的修饰剂，其具有式（I）、其亚属和具体化合物。此外，本发明还包括包含化学感受受体及其配体的修饰剂的可食用组合物以及使用化学感受受体及其配体的修饰剂增强可食用组合物的甜味或治疗与化学感受受体相关的疾病的方法。此外，本发明还包括制备化学感受受体及其配体的修饰剂的过程。
• Method of improving stability of sweet enhancer and composition containing stabilized sweet enhancer
  申请人：Tachdjian Catherine

  公开号：US09000054B2

  公开（公告）日：2015-04-07

  The present invention includes methods of stabilizing one or more sweet enhancers when they are exposed to a light source as well as liquid compositions containing one or more sweet enhancers and one or more photostabilizers.

  本发明涉及一种在暴露于光源时稳定一种或多种甜味增强剂的方法，以及含有一种或多种甜味增强剂和一种或多种光稳定剂的液体组合物。
• Modulation of chemosensory receptors and ligands associated therewith
  申请人：Tachdjian Catherine

  公开号：US08633186B2

  公开（公告）日：2014-01-21

  The present invention includes methods for identifying modifiers of chemosensory receptors and their ligands, e.g., by determining whether a test entity is suitable to interact with one or more interacting sites within the Venus flytrap domains of the chemosensory receptors, and modifiers capable of modulating chemosensory receptors and their ligands. The present invention also includes modifiers of chemosensory receptors and their ligands having Formula (I), its subgenus, and specific compounds. Furthermore, the present invention includes ingestible compositions comprising the modifiers of chemosensory receptors and their ligands and methods of using the modifiers of chemosensory receptors and their ligands to enhance the sweet taste of an ingestible composition or treat a condition associated with a chemosensory receptor. In addition, the present invention include processes for preparing the modifiers of chemosensory receptors and their ligands.

  本发明涉及识别化学感受器及其配体的修饰剂的方法，例如，通过确定测试实体是否适合与化学感受器的食虫植物结构域内的一个或多个相互作用位点相互作用来确定。本发明还包括能够调节化学感受器及其配体的修饰剂。本发明还包括具有公式（I）、其亚属和特定化合物的化学感受器及其配体的修饰剂。此外，本发明包括包含化学感受器及其配体的修饰剂的可食用组合物，并使用化学感受器及其配体的修饰剂来增强可食用组合物的甜味或治疗与化学感受器相关的疾病的方法。此外，本发明还包括制备化学感受器及其配体的修饰剂的方法。
• Modulation of chemosensory receptors and ligands associated
  申请人：Senomyx, Inc.

  公开号：EP2568287A2

  公开（公告）日：2013-03-13

  The present invention includes methods for identifying modifiers of chemosensory receptors and their ligands, e.g., by determining whether a test entity is suitable to interact with one or more interacting sites within the Venus flytrap domains of the chemosensory receptors, and modifiers capable of modulating chemosensory receptors and their ligands. The present invention also includes modifiers of chemosensory receptors and their ligands having Formula (I), its subgenus, and specific compounds. Furthermore, the present invention includes ingestible compositions comprising the modifiers of chemosensory receptors and their ligands and methods of using the modifiers of chemosensory receptors and their ligands to enhance the sweet taste of an ingestible composition or treat a condition associated with a chemosensory receptor. In addition, the present invention includes processes for preparing the modifiers of chemosensory receptors and their ligands.

  本发明包括鉴定化感受体及其配体的修饰剂的方法，例如，通过确定试验实体是否适合与化感受体金星捕蝇草结构域内的一个或多个相互作用位点相互作用，以及能够修饰化感受体及其配体的修饰剂。本发明还包括具有式（I）、其亚属和特定化合物的化感受体及其配体的调节剂。此外，本发明还包括包含化感受体修饰剂及其配体的可食用组合物，以及使用化感受体修饰剂及其配体提高可食用组合物甜味或治疗与化感受体相关疾病的方法。此外，本发明还包括制备化感受体修饰剂及其配体的工艺。
• US8633186B2
  申请人：——

  公开号：US8633186B2

  公开（公告）日：2014-01-21