3-(3-乙基-2-氧代环己基)丙酸 | 61154-32-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 3-(3-乙基-2-氧代环己基)丙酸
• 英文名称: β-(3-Aethyl-2-keto-cyclohexyl)propionsaeure
• 英文别名: 3-(3-ethyl-2-oxo-cyclohexyl)-propionic acid；3-(3-Aethyl-2-oxo-cyclohexyl)-propionsaeure；3-(3-Ethyl-2-oxocyclohexyl)propanoic acid；3-(3-ethyl-2-oxocyclohexyl)propanoic acid
• CAS: 61154-32-3
• 化学式: C₁₁H₁₈O₃
• 分子量: 198.262
• InChiKey: OTERTCLNAAUZDD-UHFFFAOYSA-N

物化性质

• 熔点：
  80-80.4 °C
• 沸点：
  351.3±15.0 °C(Predicted)
• 密度：
  1.047±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(3-乙基-2-氧代环己基)丙酸 在 aluminum (III) chloride 、 lithium aluminium tetrahydride 、 magnesium sulfate 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 27.5h， 生成 (4aR,8S,8aR)-8-ethyl-1-[(1R)-2-hydroxy-1-phenylethyl]decahydroquinoline
  参考文献：
  名称：

  对映和非对映收敛的环缩合反应：对映纯顺式十氢喹啉的合成

  摘要：

  多达四个立构具有良好定义的配置在一个单一的合成步骤中通过（的环化缩合生成ř）-phenylglycinol或（1小号，2 - [R）-1-氨基-2-茚满醇有立体异构体混合物（外消旋体，内消旋形式对映体和非对映体聚合过程中涉及动态动力学拆分和/或对映体基团去对称化的环己酮基δ-酮酸和δ-酮-二酸衍生物。提出了对该过程的立体化学结果的详细分析。此方法可轻松获得对映纯的8和6,8-取代的顺式十氢喹啉，包括myrioxazine家族的生物碱。

  DOI：

  10.1002/chem.201302894
• 作为产物：
  描述：

  3-(1-ethoxycarbonyl-3-ethyl-2-oxo-cyclohexyl)-propionic acid ethyl ester 在 盐酸 作用下， 生成 3-(3-乙基-2-氧代环己基)丙酸
  参考文献：
  名称：

  Roughness scaling and sensitivity to initial conditions in a symmetric restricted ballistic deposition model

  摘要：

  In this work, we introduce a restricted ballistic deposition model with symmetric growth rules that favors the formation of local finite slopes. It is the simplest model which, even without including a diffusive relaxation mode of the interface, leads to a macroscopic groove instability By employing a finite-size scaling of numerical simulation data, we determine the scaling behavior of the surface structure grown over a one-dimensional substrate of linear size L. We found that the surface profile develops a macroscopic groove with the asymptotic surface width scaling as w(sat) proportional to L-alpha, with alpha = 1. The early-time dynamics is governed by the scaling law w proportional to t(beta), with beta = 1/2. We further investigate the sensitivity to initial conditions of the present model by applying damage spreading techniques. We find that the early-time distance between two initially close surface configurations grows in a ballistic fashion as D proportional to t, but a slower Brownian-like scaling (D proportional to t(1/2)) sets up for evolution times much larger than a characteristic time scale t(x) proportional to L-2.

  DOI：

  10.1007/s100510070110

文献信息

• Enantio- and Diastereoconvergent Cyclocondensation Reactions: Synthesis of Enantiopure<i>cis</i>-Decahydroquinolines
  作者：Mercedes Amat、Elena Ghirardi、Laura Navío、Rosa Griera、Núria Llor、Elies Molins、Joan Bosch

  DOI：10.1002/chem.201302894

  日期：2013.11.18

  by the cyclocondensation of (R)‐phenylglycinol or (1S,2R)‐1‐amino‐2‐indanol with stereoisomeric mixtures (racemates, meso forms, diastereoisomers) of cyclohexanone‐based δ‐keto‐acid and δ‐keto‐diacid derivatives in enantio‐ and diastereoconvergent processes that involve dynamic kinetic resolution and/or desymmetrization of enantiotopic groups. A detailed analysis of the stereochemical outcome of this

  多达四个立构具有良好定义的配置在一个单一的合成步骤中通过（的环化缩合生成ř）-phenylglycinol或（1小号，2 - [R）-1-氨基-2-茚满醇有立体异构体混合物（外消旋体，内消旋形式对映体和非对映体聚合过程中涉及动态动力学拆分和/或对映体基团去对称化的环己酮基δ-酮酸和δ-酮-二酸衍生物。提出了对该过程的立体化学结果的详细分析。此方法可轻松获得对映纯的8和6,8-取代的顺式十氢喹啉，包括myrioxazine家族的生物碱。
• Roughness scaling and sensitivity to initial conditions in a symmetric restricted ballistic deposition model
  作者：R.G. da Silva、M.L. Lyra、C.R. da Silva、G.M. Viswanathan

  DOI：10.1007/s100510070110

  日期：2000.10

  In this work, we introduce a restricted ballistic deposition model with symmetric growth rules that favors the formation of local finite slopes. It is the simplest model which, even without including a diffusive relaxation mode of the interface, leads to a macroscopic groove instability By employing a finite-size scaling of numerical simulation data, we determine the scaling behavior of the surface structure grown over a one-dimensional substrate of linear size L. We found that the surface profile develops a macroscopic groove with the asymptotic surface width scaling as w(sat) proportional to L-alpha, with alpha = 1. The early-time dynamics is governed by the scaling law w proportional to t(beta), with beta = 1/2. We further investigate the sensitivity to initial conditions of the present model by applying damage spreading techniques. We find that the early-time distance between two initially close surface configurations grows in a ballistic fashion as D proportional to t, but a slower Brownian-like scaling (D proportional to t(1/2)) sets up for evolution times much larger than a characteristic time scale t(x) proportional to L-2.