Methyl 4-(propan-2-yloxy)cyclohexane-1-carboxylate | 1224582-23-3

• 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: Methyl 4-(propan-2-yloxy)cyclohexane-1-carboxylate
• 英文别名: methyl 4-propan-2-yloxycyclohexane-1-carboxylate
• CAS: 1224582-23-3
• 化学式: C₁₁H₂₀O₃
• mdl: MFCD23134171
• 分子量: 200.278
• InChiKey: LQSIDDBRTITWIG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.909
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Methyl 4-(propan-2-yloxy)cyclohexane-1-carboxylate 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 以95%的产率得到(4-Propan-2-yloxycyclohexyl)methanol
  参考文献：
  名称：

  Evaluation of a 4-aminopiperidine replacement in several series of CCR5 antagonists

  摘要：

  The bicyclic 5-amino-3-azabicyclo[3.3.0]octanes were shown to be effective replacements for the conformationally restricted 4-aminopiperidine ring found in several series of CCR5 antagonists. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.02.004
• 作为产物：
  描述：

  4-异丙氧基苯甲酸甲酯 在 Rh/Al₂O₃ 、 氢气 、 甲醇 、 sodium methylate 作用下， 以 甲醇 为溶剂， 20.0~50.0 ℃ 、379.22 kPa 条件下， 生成 Methyl 4-(propan-2-yloxy)cyclohexane-1-carboxylate
  参考文献：
  名称：

  Evaluation of a 4-aminopiperidine replacement in several series of CCR5 antagonists

  摘要：

  The bicyclic 5-amino-3-azabicyclo[3.3.0]octanes were shown to be effective replacements for the conformationally restricted 4-aminopiperidine ring found in several series of CCR5 antagonists. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.02.004

文献信息

• FARNESOID X RECEPTOR AGONISTS AND USES THEREOF
  申请人：Metacrine, Inc.

  公开号：US20200131142A1

  公开（公告）日：2020-04-30

  Described herein are compounds that are farnesoid X receptor agonists, methods of making such compounds, pharmaceutical compositions and medicaments comprising such compounds, and methods of using such compounds in the treatment of conditions, diseases, or disorders associated with farnesoid X receptor activity.
• [EN] FARNESOID X RECEPTOR AGONISTS AND USES THEREOF<br/>[FR] AGONISTES DU RÉCEPTEUR FARNÉSOÏDE X ET LEURS UTILISATIONS
  申请人：METACRINE INC

  公开号：WO2018170165A1

  公开（公告）日：2018-09-20

  Described herein are compounds that are farnesoid X receptor agonists, methods of making such compounds, pharmaceutical compositions and medicaments comprising such compounds, and methods of using such compounds in the treatment of conditions, diseases, or disorders associated with farnesoid X receptor activity.
• Evaluation of a 4-aminopiperidine replacement in several series of CCR5 antagonists
  作者：Rémy C. Lemoine、Ann C. Petersen、Lina Setti、Lijing Chen、Jutta Wanner、Andreas Jekle、Gabrielle Heilek、André deRosier、Changhua Ji、David M. Rotstein

  DOI：10.1016/j.bmcl.2010.02.004

  日期：2010.3

  The bicyclic 5-amino-3-azabicyclo[3.3.0]octanes were shown to be effective replacements for the conformationally restricted 4-aminopiperidine ring found in several series of CCR5 antagonists. (C) 2010 Elsevier Ltd. All rights reserved.