N-[(5S)-5-benzyl-6-oxo-1,4-dihydropyridazin-5-yl]benzamide | 544676-36-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-[(5S)-5-benzyl-6-oxo-1,4-dihydropyridazin-5-yl]benzamide
• CAS: 544676-36-0
• 化学式: C₁₈H₁₇N₃O₂
• 分子量: 307.352
• InChiKey: HYCQJQJQJGVYDO-GOSISDBHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  70.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-[(5S)-5-benzyl-6-oxo-1,4-dihydropyridazin-5-yl]benzamide 在 盐酸 、 sodium cyanoborohydride 作用下， 以 甲醇 为溶剂， 反应 18.0h， 以73%的产率得到N-[(4S)-4-benzyl-3-oxodiazinan-4-yl]benzamide
  参考文献：
  名称：

  A diastereoselective synthesis of the tetrahydropyridazinone core of 2-oxo-1,6-diazobicyclo[4.3.0]nonane-9-carboxylate-based peptidomimetics starting from (S)-phenylalanine

  摘要：

  A diastereoseletvive synthesis of a peptidic tetrahydropyridazinone 10 from (S)-phenylalanine is reported. This derivative was then converted to the bicyclic peptidomimetic 11, an important class of beta-strand mimetic. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)00882-7
• 作为产物：
  描述：

  methyl (2R)-2-benzamido-2-benzylpent-4-enoate 在 臭氧 、 肼 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 48.0h， 生成 N-[(5S)-5-benzyl-6-oxo-1,4-dihydropyridazin-5-yl]benzamide
  参考文献：
  名称：

  A diastereoselective synthesis of the tetrahydropyridazinone core of 2-oxo-1,6-diazobicyclo[4.3.0]nonane-9-carboxylate-based peptidomimetics starting from (S)-phenylalanine

  摘要：

  A diastereoseletvive synthesis of a peptidic tetrahydropyridazinone 10 from (S)-phenylalanine is reported. This derivative was then converted to the bicyclic peptidomimetic 11, an important class of beta-strand mimetic. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)00882-7

文献信息

• A diastereoselective synthesis of the tetrahydropyridazinone core of 2-oxo-1,6-diazobicyclo[4.3.0]nonane-9-carboxylate-based peptidomimetics starting from (S)-phenylalanine
  作者：James Gardiner、Andrew D. Abell

  DOI：10.1016/s0040-4039(03)00882-7

  日期：2003.5

  A diastereoseletvive synthesis of a peptidic tetrahydropyridazinone 10 from (S)-phenylalanine is reported. This derivative was then converted to the bicyclic peptidomimetic 11, an important class of beta-strand mimetic. (C) 2003 Elsevier Science Ltd. All rights reserved.