[1-(Cyclohexylmethyl)cyclobutyl]methanol | 433219-88-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [1-(Cyclohexylmethyl)cyclobutyl]methanol
• 英文别名: [1-(cyclohexylmethyl)cyclobutyl]methanol
• CAS: 433219-88-6
• 化学式: C₁₂H₂₂O
• 分子量: 182.306
• InChiKey: VTUZQAQJEHJLBH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  [1-(Cyclohexylmethyl)cyclobutyl]methanol 在 2,6-二甲基吡啶 、 草酰氯 、 偶氮二异丁腈 、 三正丁基氢锡 、 magnesium 、 二甲基亚砜 、 三乙胺 、 mercury dichloride 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 反应 5.01h， 生成 (E)-1-iodo-4-(tert-butyldimethylsiloxy)-6-cyclohexyl-5,5-trimethylene-1-hexene
  参考文献：
  名称：

  Development of a highly selective EP2-receptor agonist. Part 1: identification of 16-hydroxy-17,17-trimethylene PGE2 derivatives

  摘要：

  Design and synthesis of an EP2-receptor selective agonist began with the chemical modification of alpha- and omega-chains of butaprost 1a, which exhibits an affinity for the IP-receptor. Two series of prostaglandin (PG) analogues with a 16-hydroxy-17,17-trimethylene moiety as an omega-chain were identified. Among those tested, 4a,b,e,f,h and 6a,b,e,f,h were found to be highly selective EP2-receptor agonists. Structure activity relationships are discussed. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(01)00369-8
• 作为产物：
  描述：

  环丁基甲酸 在 lithium aluminium tetrahydride 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 反应 15.5h， 生成 [1-(Cyclohexylmethyl)cyclobutyl]methanol
  参考文献：
  名称：

  Development of a highly selective EP2-receptor agonist. Part 1: identification of 16-hydroxy-17,17-trimethylene PGE2 derivatives

  摘要：

  Design and synthesis of an EP2-receptor selective agonist began with the chemical modification of alpha- and omega-chains of butaprost 1a, which exhibits an affinity for the IP-receptor. Two series of prostaglandin (PG) analogues with a 16-hydroxy-17,17-trimethylene moiety as an omega-chain were identified. Among those tested, 4a,b,e,f,h and 6a,b,e,f,h were found to be highly selective EP2-receptor agonists. Structure activity relationships are discussed. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(01)00369-8

文献信息

• Development of a highly selective EP2-receptor agonist. Part 1: identification of 16-hydroxy-17,17-trimethylene PGE2 derivatives
  作者：Kousuke Tani、Atsushi Naganawa、Akiharu Ishida、Kenji Sagawa、Hiroyuki Harada、Mikio Ogawa、Takayuki Maruyama、Shuichi Ohuchida、Hisao Nakai、Kigen Kondo、Masaaki Toda

  DOI：10.1016/s0968-0896(01)00369-8

  日期：2002.4

  Design and synthesis of an EP2-receptor selective agonist began with the chemical modification of alpha- and omega-chains of butaprost 1a, which exhibits an affinity for the IP-receptor. Two series of prostaglandin (PG) analogues with a 16-hydroxy-17,17-trimethylene moiety as an omega-chain were identified. Among those tested, 4a,b,e,f,h and 6a,b,e,f,h were found to be highly selective EP2-receptor agonists. Structure activity relationships are discussed. (C) 2002 Elsevier Science Ltd. All rights reserved.