methyl t-3-hydroxy-c-4-methoxy-r-1-cyclohexanecarboxylate | 138008-15-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methyl t-3-hydroxy-c-4-methoxy-r-1-cyclohexanecarboxylate
• 英文别名: methyl (1S,3R,4R)-3-hydroxy-4-methoxycyclohexane-1-carboxylate
• CAS: 138008-15-8
• 化学式: C₉H₁₆O₄
• 分子量: 188.224
• InChiKey: PWYYTGMWYVWTGC-XLPZGREQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl t-3-hydroxy-c-4-methoxy-r-1-cyclohexanecarboxylate 在 硝酸 、 乙酸酐 作用下， 反应 3.0h， 生成 (1S,3R,4R)-methyl 4-methoxy-3-(nitrooxy)cyclohexanecarboxylate
  参考文献：
  名称：

  [EN] NITROOXY CYCLOALKANE DERIVATIVES
  [FR] DÉRIVÉS DE NITROOXY CYCLOALCANE

  摘要：

  一种具有以下结构的化合物，其中Y选择自- C（O）OR2，- C（O）NHR8，- C（CH2）1-2OR3，OH等组成的群体，或其药用盐，并使用这些化合物治疗高血压的方法。

  公开号：

  WO2010062415A1
• 作为产物：
  描述：

  甲醇 、 3,4-Epoxy-cyclohexancarbonsaeuremethylester 在 硫酸 作用下， 反应 4.0h， 生成 methyl t-3-hydroxy-c-4-methoxy-r-1-cyclohexanecarboxylate
  参考文献：
  名称：

  [EN] NITROOXY CYCLOALKANE DERIVATIVES
  [FR] DÉRIVÉS DE NITROOXY CYCLOALCANE

  摘要：

  一种具有以下结构的化合物，其中Y选择自- C（O）OR2，- C（O）NHR8，- C（CH2）1-2OR3，OH等组成的群体，或其药用盐，并使用这些化合物治疗高血压的方法。

  公开号：

  WO2010062415A1

文献信息

• NITROOXY CYCLOALKANE DERIVATIVES
  申请人：Ali Amjad

  公开号：US20110230532A1

  公开（公告）日：2011-09-22

  A compound having the structure wherein Y is selected from the group consisting of —C(O)OR 2 , —C(O)NHR 8 , —C(CH 2 ) 1-2 OR3, OH, and or a pharmaceutically acceptable salt thereof, and methods of using the compounds for treating hypertension.

  一种具有以下结构的化合物，其中Y是从以下群组中选择的：—C(O)OR2、—C(O)NHR8、—C(CH2)1-2OR3、OH，或其药学上可接受的盐，以及使用该化合物治疗高血压的方法。
• Regiochemical control of the ring-opening of 1,2-epoxides by means of chelating processes. 2. Synthesis and reactions of the cis- and trans-oxides of 4-[(benzyloxy)methyl]cyclohexene, 3-cyclohexenemethanol, and methyl 3-cyclohexenecarboxylate
  作者：Marco Chini、Paolo Crotti、Lee A. Flippin、Franco Macchia、Mauro Pineschi

  DOI：10.1021/jo00031a018

  日期：1992.2

  The synthesis of the diastereoisomeric epoxides cis-1b-d and trans-2b-d and the products of their ring-opening by various nucleophiles are described. The results of the ring-openings of the trans-epoxides 2b-d can be rationalized by combining stereoelectronic and conformational arguments. However, the regioselectivity of the ring-openings of the cis-epoxides 1b-d can, in principle, be influenced by the chelation of a metal ion by the oxygen atom of the epoxy group and that of the substituent on the 4-position. The results of the reactions of the cis-epoxides 1b-d indicate that, to some degree, chelation is indeed a factor. How important a factor it is is dependent both on the reaction conditions and on the concentration and nature of the metal ion. In the ring-openings of the cis-epoxides 1b and 1d, chelation seems to be a larger factor than it is in the ring-openings of cis-epoxide 1c. However, in no case is chelation as large a factor as it was in the ring-openings of the cis-epoxide 1a, which was studied earlier. On the other hand, the autocatalyzed methanolysis, under neutral conditions, of epoxy acid 1e, followed by CH2N2 methylation of the crude product, afforded a mixture of the two regioisomeric hydroxy ethers in which the C-2-type compound predominates. This result suggests that intramolecular hydrogen bonding may determine the reactive conformation of 1e.
• US8530521B2
  申请人：——

  公开号：US8530521B2

  公开（公告）日：2013-09-10