6,7-dihydroxy-1-(3-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline hydrobromide | 96315-81-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: 6,7-dihydroxy-1-(3-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline hydrobromide
• 英文别名: 1-(3-nitrophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride；6,7-dimethoxy-1-(3-nitro-phenyl)-1,2,3,4-tetrahydro-isoquinoline; hydrochloride；6,7-Dimethoxy-1-(3-nitro-phenyl)-1,2,3,4-tetrahydro-isochinolin; Hydrochlorid；6,7-Dimethoxy-1-(3-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
• CAS: 96315-81-0
• 化学式: C₁₇H₁₈N₂O₄*ClH
• 分子量: 350.802
• InChiKey: MNSVTHVHUVHQCY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.27
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  76.3
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  (3,4-dimethoxy-phenethyl)-(3-nitro-benzyliden)-amine 在 盐酸 、 水 作用下， 生成 6,7-dihydroxy-1-(3-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline hydrobromide
  参考文献：
  名称：

  SYNTHESIS OF TETRAHYDROISOQUINOLINE DERIVATIVES

  摘要：

  DOI：

  10.1021/jo01149a037

文献信息

• Regioselectivity in isoquinoline alkaloid synthesis
  作者：Rodolfo Quevedo、Edwin Baquero、Mario Rodriguez

  DOI：10.1016/j.tetlet.2010.01.115

  日期：2010.3

  Regioselectivity in isoquinoline alkaloid synthesis is analyzed here. Our experiments have shown that substituents on the aromatic ring of the starting amine are determinant in isoquinoline synthesis. The use of dicyclohexylcarbodiimide in activating carboxylic acids for electrophilic aromatic substitution reactions is presented for the first time.

  在此分析异喹啉生物碱合成中的区域选择性。我们的实验表明，起始胺的芳环上的取代基是异喹啉合成中的决定性基团。首次提出了二环己基碳二亚胺在活化羧酸以进行亲电芳族取代反应中的用途。
• 1-Phenylisoquinoline larvicidal activity against<i>Culex quinquefasciatus</i>
  作者：Rodolfo Quevedo、Edwin Baquero、Martha L. Quiñones

  DOI：10.1080/14786419.2011.560846

  日期：2012.6

  The larvicidal potential of several dopamine 1-phenylisoquinoline derivatives against Culex quinquefasciatus third instar larvae was investigated in a rational search for insecticides. The results showed that these isoquinolines presented moderate larvicidal activity, that the presence of a substituent is needed on carbon 1 for such activity to be presented and that it may be possible to develop novel insecticidal compounds having potential use in controlling insects by appropriate structural modification of 1-phenylisoquinolines. This article presents a possible structure-larvicidal activity relationship for isoquinolinic compounds.