ethyl 1-(5-chloropentyl)-1-cyclopentanecarboxylate | 835925-46-7

• 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: ethyl 1-(5-chloropentyl)-1-cyclopentanecarboxylate
• 英文别名: ethyl 1-(5-chloropentyl)cyclopentane-1-carboxylate
• CAS: 835925-46-7
• 化学式: C₁₃H₂₃ClO₂
• 分子量: 246.777
• InChiKey: VBZPJBUFEVEHTI-UHFFFAOYSA-N

物化性质

• 沸点：
  78-82 °C(Press: 0.001 Torr)
• 密度：
  1.029±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.91
• 重原子数：
  16.0
• 可旋转键数：
  7.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  ethyl 1-(5-chloropentyl)-1-cyclopentanecarboxylate 在 potassium tert-butylate 、 碳酸氢钠 、 sodium iodide 作用下， 以 N,N-二甲基乙酰胺 、 丁酮 为溶剂， 生成 ethyl 1-{11-[1-(ethoxycarbonyl)cyclopentyl]-6-isocyano-6-[(4-methylphenyl)sulfonyl]undecyl}-1-cyclopentanecarboxylate
  参考文献：
  名称：

  α-cycloalkyl-substituted ω-keto-dicarboxylic acids as lipid regulating agents

  摘要：

  A series of cycloalkyl-substituted oxo-alkanedicarboxylic acids have been prepared by the TosMIC methodology departing from haloalkyl-substituted cycloalkylcarboxylic esters. cyclopropyl derivatives showed IC50 activity in the 0.3-1.0 muM range on the de novo incorporation of radiolabeled acetate into lipids in primary cultures of rat hepatocytes, and they showed lipid-regulating properties when tested in vivo in female obese Zucker fatty rats. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2004.09.046
• 作为产物：
  描述：

  1-溴-5-氯戊烷 、 环戊烷羧酸乙酯 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 18.0h， 以90%的产率得到ethyl 1-(5-chloropentyl)-1-cyclopentanecarboxylate
  参考文献：
  名称：

  α-cycloalkyl-substituted ω-keto-dicarboxylic acids as lipid regulating agents

  摘要：

  A series of cycloalkyl-substituted oxo-alkanedicarboxylic acids have been prepared by the TosMIC methodology departing from haloalkyl-substituted cycloalkylcarboxylic esters. cyclopropyl derivatives showed IC50 activity in the 0.3-1.0 muM range on the de novo incorporation of radiolabeled acetate into lipids in primary cultures of rat hepatocytes, and they showed lipid-regulating properties when tested in vivo in female obese Zucker fatty rats. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2004.09.046