(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3,5-dimethoxyphenyl)methanone

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3,5-dimethoxyphenyl)methanone
• 化学式: C₂₀H₂₃NO₅
• 分子量: 357.406
• InChiKey: JERNEMHLBUDGJR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  57.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3,5-dimethoxyphenyl)methanone 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 反应 12.25h， 生成 (6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3,5-dihydroxyphenyl)methanone
  参考文献：
  名称：

  Rapid and efficient microwave-assisted synthesis of highly sulfated organic scaffolds

  摘要：

  Sulfation of multiple hydroxylated small organic molecules is fraught with problems of poor yield, multitude of products, and long reaction times. We have developed a rapid microwave-based method for synthesis of highly sulfated small organic molecules, which affords the per-sulfated product in moderate to excellent yields and high purity. The method is expected to be of value in the discovery of per-sulfated organic molecules as mimics of glycosaminoglycans, which are being increasingly recognized as modulators of key physiological functions. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.07.100
• 作为产物：
  描述：

  6,7-二甲氧基-1,2,3,4-四氢异喹啉盐酸盐 、 3,5-二甲氧基苯甲酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 生成 (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3,5-dimethoxyphenyl)methanone
  参考文献：
  名称：

  Rapid and efficient microwave-assisted synthesis of highly sulfated organic scaffolds

  摘要：

  Sulfation of multiple hydroxylated small organic molecules is fraught with problems of poor yield, multitude of products, and long reaction times. We have developed a rapid microwave-based method for synthesis of highly sulfated small organic molecules, which affords the per-sulfated product in moderate to excellent yields and high purity. The method is expected to be of value in the discovery of per-sulfated organic molecules as mimics of glycosaminoglycans, which are being increasingly recognized as modulators of key physiological functions. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.07.100