Benzoic acid 2-piperidin-2-yl-ethyl ester | 215171-85-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Benzoic acid 2-piperidin-2-yl-ethyl ester
• 英文别名: 2-Piperidin-2-ylethyl benzoate
• CAS: 215171-85-0
• 化学式: C₁₄H₁₉NO₂
• 分子量: 233.31
• InChiKey: CSPRDNCAADKCLW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Benzoic acid 2-piperidin-2-yl-ethyl ester 、 3-苯丙酰氯 在 吡啶 作用下， 生成 Benzoic acid 2-[1-(3-oxo-3-phenyl-propyl)-piperidin-2-yl]-ethyl ester
  参考文献：
  名称：

  Chemically-tagged mitsunobu reagents for use in solution-phase chemical library synthesis

  摘要：

  A general method for high-throughput product purification of Mitsunobu reactions is described. Tagged phosphine and azodicarboxylate reagents are used to synthesize individual library members in solution-phase. Workup and purification are easily accomplished by post-reaction sequestration of the tagged reagents and reagent byproducts by a complementary functionalized ion exchange resin. The reagents are utilized in a 3 step library synthesis. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00431-4
• 作为产物：
  描述：

  N-叔丁氧羰基-2-哌啶-2-基乙醇 在 tagged 3-(diphenylphosphino)propionic acid t-butyl ester 、 tagged di-t-butylazodicarboxylate 、 三氟乙酸 作用下， 生成 Benzoic acid 2-piperidin-2-yl-ethyl ester
  参考文献：
  名称：

  Chemically-tagged mitsunobu reagents for use in solution-phase chemical library synthesis

  摘要：

  A general method for high-throughput product purification of Mitsunobu reactions is described. Tagged phosphine and azodicarboxylate reagents are used to synthesize individual library members in solution-phase. Workup and purification are easily accomplished by post-reaction sequestration of the tagged reagents and reagent byproducts by a complementary functionalized ion exchange resin. The reagents are utilized in a 3 step library synthesis. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00431-4

文献信息

• 10.1021/jacs.4c05883
  作者：Zhang, Fuhao、Sasmal, Himadri Sekhar、Rana, Debanjan、Glorius, Frank

  DOI：10.1021/jacs.4c05883

  日期：——
• Chemically-tagged mitsunobu reagents for use in solution-phase chemical library synthesis
  作者：Gale W. Starkey、John J. Parlow、Daniel L. Flynn

  DOI：10.1016/s0960-894x(98)00431-4

  日期：1998.9

  A general method for high-throughput product purification of Mitsunobu reactions is described. Tagged phosphine and azodicarboxylate reagents are used to synthesize individual library members in solution-phase. Workup and purification are easily accomplished by post-reaction sequestration of the tagged reagents and reagent byproducts by a complementary functionalized ion exchange resin. The reagents are utilized in a 3 step library synthesis. (C) 1998 Elsevier Science Ltd. All rights reserved.