(+/-)-N-[(2-methyl-4,5,6,7-tetrahydro-2H-indazol-5-yl)methyl]acetamide | 444199-03-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (+/-)-N-[(2-methyl-4,5,6,7-tetrahydro-2H-indazol-5-yl)methyl]acetamide
• 英文别名: N-[(2-methyl-4,5,6,7-tetrahydroindazol-5-yl)methyl]acetamide
• CAS: 444199-03-5
• 化学式: C₁₁H₁₇N₃O
• 分子量: 207.275
• InChiKey: WIQJTYRSBGGFEA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  46.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (+/-)-N-[(2-methyl-4,5,6,7-tetrahydro-2H-indazol-5-yl)methyl]acetamide 在 盐酸 作用下， 反应 6.0h， 以82%的产率得到(+/-)-2-methyl-4,5,6,7-tetrahydro-2H-indazol-5-ylmethanamine hydrochloride
  参考文献：
  名称：

  A general synthetic approach to novel conformationally restricted arginine side chain mimetics

  摘要：

  A general synthesis of several novel partially saturated, conformationally restricted heterobicyclic arginine side chain mimetics is described. These compounds are interesting peptidomimetic building blocks for incorporation into trypsin-like serine protease inhibitors. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)01243-1
• 作为产物：
  描述：

  4-氰基环己酮缩乙二醇 在 lithium aluminium tetrahydride 、 甲酸 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 甲苯 为溶剂， 反应 40.0h， 生成 (+/-)-N-[(2-methyl-4,5,6,7-tetrahydro-2H-indazol-5-yl)methyl]acetamide
  参考文献：
  名称：

  A general synthetic approach to novel conformationally restricted arginine side chain mimetics

  摘要：

  A general synthesis of several novel partially saturated, conformationally restricted heterobicyclic arginine side chain mimetics is described. These compounds are interesting peptidomimetic building blocks for incorporation into trypsin-like serine protease inhibitors. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)01243-1

文献信息

• A general synthetic approach to novel conformationally restricted arginine side chain mimetics
  作者：Lucija Peterlin-Mašič、Andreja Jurca、Petra Marinko、Anita Jančar、Danijel Kikelj

  DOI：10.1016/s0040-4020(01)01243-1

  日期：2002.2

  A general synthesis of several novel partially saturated, conformationally restricted heterobicyclic arginine side chain mimetics is described. These compounds are interesting peptidomimetic building blocks for incorporation into trypsin-like serine protease inhibitors. (C) 2002 Elsevier Science Ltd. All rights reserved.