7-(hept-3-ylcarbonyl)oxy-2H-1-benzopyran-2-one

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 7-(hept-3-ylcarbonyl)oxy-2H-1-benzopyran-2-one
• 英文别名: (2-Oxochromen-7-yl) 2-ethylhexanoate；(2-oxochromen-7-yl) 2-ethylhexanoate
• 化学式: C₁₇H₂₀O₄
• 分子量: 288.343
• InChiKey: DFBFRRWHUFQVTM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  21
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  7-羟基香豆素 、 2-乙基己酰氯 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以81%的产率得到7-(hept-3-ylcarbonyl)oxy-2H-1-benzopyran-2-one
  参考文献：
  名称：

  固体支持物上的高通量，小体积酶分析。

  摘要：

  描述了一种高通量酶测定法，该测定法每次测试使用1微升或更少的酶溶液。酶溶液通过机器人处理以超过1000次/小时的处理量沉积在已预浸渍有荧光底物的硅胶板表面上。通过荧光定量反应。该方法与水不溶性底物（脂肪酶），水溶性底物（糖苷酶），全蛋白底物（蛋白酶）和酶抑制测量兼容。水解不稳定的伞形酯可用于以这种形式测定脂肪酶，而无需进行背景水解。通过对37种不同的荧光酯底物进行脂肪酶和酯酶的指纹分析，测试了高通量和可重复性。

  DOI：

  10.1021/ac048611n

文献信息

• Novel Insect-Repellent Coumarin Derivatives, Syntheses, and Methods of Use
  申请人：Delaveau Jean

  公开号：US20120329832A1

  公开（公告）日：2012-12-27

  This invention relates to novel coumarin derivative, formulations comprising same, and to methods of making and using these compounds and formulations, which are useful as repellents against insects and/or pests. The compounds also prevent illness and disease caused by insect/pest-borne vectors, and provide safer, more effective alternatives to existing repellents.

  本发明涉及新型香豆素衍生物、包含该衍生物的配方，以及制备和使用这些化合物和配方的方法，这些化合物和配方可作为驱虫剂防止昆虫和/或害虫。这些化合物还可以预防因昆虫/害虫传播的疾病和疾病，并提供比现有驱虫剂更安全、更有效的替代品。
• Indirect modeling of new repellent molecules active against insects, acarids, and other arthropods
  申请人：Delaveau Jean

  公开号：US20130079394A1

  公开（公告）日：2013-03-28

  This invention relates to novel coumarin derivatives, formulations comprising same, and to methods of making and using these compounds and formulations, which are useful as repellents against insects and/or pests. The compounds also prevent illness and disease caused by insect/pest-borne vectors, and provide safer, more effective alternatives to existing repellents. This invention also relates to novel methods for modeling and/or predicting the repellency of unknown compounds.
• [EN] NOVEL INSECT-REPELLENT COUMARIN DERIVATIVES, SYNTHESES, AND METHODS OF USE<br/>[FR] DÉRIVÉS INSECTIFUGES INÉDITS DE COUMARINE, LEUR SYNTHÈSE ET LEURS PROCÉDÉS D'UTILISATION
  申请人：MERIAL LTD

  公开号：WO2013003168A1

  公开（公告）日：2013-01-03

  This invention relates to novel coumarin derivative, formulations comprising same, and to methods of making and using these compounds and formulations, which are useful as repellents against insects and/or pests. The compounds also prevent illness and disease caused by insect/pest-borne vectors, and provide safer, more effective alternatives to existing repellents.
• [EN] INDIRECT MODELING OF NEW REPELLENT MOLECULES ACTIVE AGAINST INSECTS, ACARIDS, AND OTHER ARTHROPODS<br/>[FR] MODÉLISATION INDIRECTE DE MOLÉCULES RÉPULSIVES INÉDITES ACTIVES CONTRE LES INSECTES, LES ACARIENS ET AUTRES ARTHROPODES
  申请人：MERIAL LTD

  公开号：WO2013044118A2

  公开（公告）日：2013-03-28

  This invention relates to novel coumarin derivatives, formulations comprising same, and to methods of making and using these compounds and formulations, which are useful as repellents against insects and/or pests. The compounds also prevent illness and disease caused by insect/pest-borne vectors, and provide safer, more effective alternatives to existing repellents. This invention also relates to novel methods for modeling and/or predicting the repeilency of unknown compounds.