Methyl 3,3-dimethoxy-1-prop-2-enylcyclopentane-1-carboxylate | 1019652-21-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: Methyl 3,3-dimethoxy-1-prop-2-enylcyclopentane-1-carboxylate
• CAS: 1019652-21-1
• 化学式: C₁₂H₂₀O₄
• 分子量: 228.288
• InChiKey: JWBZTKRLWQLVRP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Methyl 3,3-dimethoxy-1-prop-2-enylcyclopentane-1-carboxylate 在 臭氧 、 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Conformational studies of 3-amino-1-alkyl-cyclopentane carboxamide CCR2 antagonists leading to new spirocyclic antagonists

  摘要：

  In an effort to shed light on the active binding conformation of our 3-amino-1-alkyl-cyclopentane carboxamide CCR2 antagonists, we prepared several conformationally constrained analogs resulting from backbone cyclization. Evaluation of CCR2 binding affinities for these analogs gave insight into the optimal relative positions of the piperidine and benzylamide moieties while simultaneously leading to the discovery of a new, potent lead type based upon a spirocyclic acetal scaffold. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.01.016
• 作为产物：
  描述：

  (±)-methyl 3,3-dimethoxycyclopentanecarboxylate 、 3-溴丙烯 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 以88%的产率得到Methyl 3,3-dimethoxy-1-prop-2-enylcyclopentane-1-carboxylate
  参考文献：
  名称：

  Conformational studies of 3-amino-1-alkyl-cyclopentane carboxamide CCR2 antagonists leading to new spirocyclic antagonists

  摘要：

  In an effort to shed light on the active binding conformation of our 3-amino-1-alkyl-cyclopentane carboxamide CCR2 antagonists, we prepared several conformationally constrained analogs resulting from backbone cyclization. Evaluation of CCR2 binding affinities for these analogs gave insight into the optimal relative positions of the piperidine and benzylamide moieties while simultaneously leading to the discovery of a new, potent lead type based upon a spirocyclic acetal scaffold. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.01.016