2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinol-2-yl)-5-nitrobenzyl alcohol | 262354-85-8

• 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: 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinol-2-yl)-5-nitrobenzyl alcohol
• CAS: 262354-85-8
• 化学式: C₁₈H₂₀N₂O₅
• 分子量: 344.367
• InChiKey: GAQXYAMXITVBCI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.67
• 重原子数：
  25.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  85.07
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinol-2-yl)-5-nitrobenzyl alcohol 在 N-溴代丁二酰亚胺(NBS) 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 3.17h， 生成 2-[2-(4,5-dimethoxy-2-formylphenyl)ethylamino]-5-nitrobenzyl acetate
  参考文献：
  名称：

  Ring-Opening Reactions of N-Aryl-1,2,3,4-tetrahydroisoquinolines: Synthesis of Novel Isoquino[2,1-a][3,1]benzoxazine Derivatives

  摘要：

  The aldehydes 7e and 7h were prepared by treatment of the 1,2,3,4-tetrahydroisoquinolines 5e and 5h,, respectively, with N-bromosuccinimide (NBS). Basic hydrolysis of compounds 7e and 7h gave the 4bH,6H-isoquino[2,1-a][3,1]benzoxazine derivatives 9 (R=H, OMe). Heterocycle 10 was obtained from the reaction of compound 5e with NBS and isolated as the ethyl derivative 11. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)01015-7
• 作为产物：
  描述：

  2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinol-2-yl)-5-nitrobenzaldehyde 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 1.0h， 以0.68 g的产率得到2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinol-2-yl)-5-nitrobenzyl alcohol
  参考文献：
  名称：

  Ring-Opening Reactions of N-Aryl-1,2,3,4-tetrahydroisoquinolines: Synthesis of Novel Isoquino[2,1-a][3,1]benzoxazine Derivatives

  摘要：

  The aldehydes 7e and 7h were prepared by treatment of the 1,2,3,4-tetrahydroisoquinolines 5e and 5h,, respectively, with N-bromosuccinimide (NBS). Basic hydrolysis of compounds 7e and 7h gave the 4bH,6H-isoquino[2,1-a][3,1]benzoxazine derivatives 9 (R=H, OMe). Heterocycle 10 was obtained from the reaction of compound 5e with NBS and isolated as the ethyl derivative 11. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)01015-7