2-(羟甲基)酞嗪-1-酮 | 941-95-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 中文名称: 2-(羟甲基)酞嗪-1-酮
• 英文名称: 2-(hydroxymethyl)phthalazin-1(2H)-one
• 英文别名: 2-hydroxymethyl-2H-phthalazin-1-one；2-Hydroxymethyl-2H-phthalazinon-(1)；2-Hydroxymethyl-phthalazin-1-on；N-Hydroxymethylphthalazon；2-(Hydroxymethyl)phthalazin-1-one
• CAS: 941-95-7
• 化学式: C₉H₈N₂O₂
• 分子量: 176.175
• InChiKey: TVGZNJDVLQYRJE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  52.9
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(羟甲基)酞嗪-1-酮 、 三氯乙腈 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以89%的产率得到(1-oxophthalazin-2(1H)-yl)methyl 2,2,2-trichloroacetimidate
  参考文献：
  名称：

  Studying the reactivity of (phthalazin-1(2H)-on-2-yl)methyl trichloroacetimidate towards different C- and O-nucleophiles

  摘要：

  A simple and efficient synthesis of phthalazin-1(2H)-one 2-substituted derivatives is achieved in very good yields via reaction of a phthalazinone-trichloroacetimidate with various C- and O-nucleophiles such as aromatic, heteroaromatic and olefinic reagents, sugars and cholesterol in CH2Cl2 in the presence of a catalytic amount of trimethylsilyl trifluoromethanesulfonate (TMSOTf). (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.09.068
• 作为产物：
  描述：

  聚合甲醛 、 1-(2H)-酞嗪酮 以 乙醇 、 水 为溶剂， 反应 7.0h， 以91%的产率得到2-(羟甲基)酞嗪-1-酮
  参考文献：
  名称：

  Studying the reactivity of (phthalazin-1(2H)-on-2-yl)methyl trichloroacetimidate towards different C- and O-nucleophiles

  摘要：

  A simple and efficient synthesis of phthalazin-1(2H)-one 2-substituted derivatives is achieved in very good yields via reaction of a phthalazinone-trichloroacetimidate with various C- and O-nucleophiles such as aromatic, heteroaromatic and olefinic reagents, sugars and cholesterol in CH2Cl2 in the presence of a catalytic amount of trimethylsilyl trifluoromethanesulfonate (TMSOTf). (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.09.068

文献信息

• Studying the reactivity of (phthalazin-1(2H)-on-2-yl)methyl trichloroacetimidate towards different C- and O-nucleophiles
  作者：Ahmed O.H. El Nezhawy、Samir T. Gaballah、Mohamed A.A. Radwan

  DOI：10.1016/j.tetlet.2009.09.068

  日期：2009.12

  A simple and efficient synthesis of phthalazin-1(2H)-one 2-substituted derivatives is achieved in very good yields via reaction of a phthalazinone-trichloroacetimidate with various C- and O-nucleophiles such as aromatic, heteroaromatic and olefinic reagents, sugars and cholesterol in CH2Cl2 in the presence of a catalytic amount of trimethylsilyl trifluoromethanesulfonate (TMSOTf). (C) 2009 Elsevier Ltd. All rights reserved.