(S)-4-[2,2-Dimethyl-cyclopent-(Z)-ylidene]-5-oxo-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-ethyl ester | 213777-90-3

• 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: (S)-4-[2,2-Dimethyl-cyclopent-(Z)-ylidene]-5-oxo-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-ethyl ester
• CAS: 213777-90-3
• 化学式: C₁₉H₂₉NO₅
• 分子量: 351.443
• InChiKey: PPWUDJJUYBYWEL-DINCDJDBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.59
• 重原子数：
  25.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  72.91
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  (S)-4-[2,2-Dimethyl-cyclopent-(Z)-ylidene]-5-oxo-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-ethyl ester 在 lithium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 生成 (S)-2-tert-Butoxycarbonylamino-4-[2,2-dimethyl-cyclopent-(Z)-ylidene]-pentanedioic acid
  参考文献：
  名称：

  4-Alkylidenyl glutamic acids, potent and selective GluR5 agonists

  摘要：

  Twenty-four 4-alkylidene glutamic acids were synthesised and tested as potential subtype selective GluR5 and 6 ligands. It was found that a critical size of alkylidene group gave potent and selective GluR5 receptor agonists. LY339624 had K(i)s of 0.0326 and >100 mu M on GluR5 and 6 receptors, respectively. (C) 2000 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00346-2
• 作为产物：
  描述：

  BOC-L-焦谷氨酸乙酯 在 甲基磺酰氯 、 三乙胺 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 为溶剂， 生成 (S)-4-[2,2-Dimethyl-cyclopent-(Z)-ylidene]-5-oxo-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-ethyl ester
  参考文献：
  名称：

  4-Alkylidenyl glutamic acids, potent and selective GluR5 agonists

  摘要：

  Twenty-four 4-alkylidene glutamic acids were synthesised and tested as potential subtype selective GluR5 and 6 ligands. It was found that a critical size of alkylidene group gave potent and selective GluR5 receptor agonists. LY339624 had K(i)s of 0.0326 and >100 mu M on GluR5 and 6 receptors, respectively. (C) 2000 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00346-2