[2-(2,2-dimethyl-2H-chromen-6-yl)ethyl]isopropylamine hydrochloride | 1242080-38-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: [2-(2,2-dimethyl-2H-chromen-6-yl)ethyl]isopropylamine hydrochloride
• 英文别名: N-[2-(2,2-dimethylchromen-6-yl)ethyl]propan-2-amine;hydrochloride
• CAS: 1242080-38-1
• 化学式: C₁₆H₂₃NO*ClH
• 分子量: 281.826
• InChiKey: CQUFTYFONNVQAH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.83
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  21.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-羟基苯乙酸甲酯 在 盐酸 、 lithium aluminium tetrahydride 、 四溴化碳 、 potassium carbonate 、 三苯基膦 、 N,N-二乙基苯胺 、 potassium iodide 作用下， 以 乙醚 、 乙醇 、 二氯甲烷 、 水 、 丙酮 为溶剂， 反应 63.25h， 生成 [2-(2,2-dimethyl-2H-chromen-6-yl)ethyl]isopropylamine hydrochloride
  参考文献：
  名称：

  New Class of Algicidal Compounds and Fungicidal Activities Derived from a Chromene Amide of Amyris texana

  摘要：

  A chromene amide, N-[2-(2,2-dimethyl-2H-1-benzopyran-6-yl)ethyl]-N,3-dimethylbutanamide, was isolated from the EtOAc extract of the leaves of Amyris texana and found to have moderate antifungal activity against Colletotrichum spp. and selective algicidal activity against Planktothrix perornata, a cyanobacterium (blue-green alga) that causes musty off-flavor in farm-raised channel catfish (Ictalurus punctatus). To improve the selective algicidal activity and provide water solubility, a series of chromene analogues were synthesized and evaluated for algicidal activity using a 96-well microplate rapid bioassay. In addition, the chromene analogues were evaluated for antifungal and phytotoxic activities. Hydrochloride salts of a chromene amine analogue showed improved water solubility and selectivity toward P. perornata with activity comparable to that of the naturally occurring chromene amide.

  DOI：

  10.1021/jf101626g