diethyl 2-hydroxycyclohexane-1,1-dicarboxylate | 132900-09-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: diethyl 2-hydroxycyclohexane-1,1-dicarboxylate
• 英文别名: 1,1-Diethyl 2-hydroxy-1,1-cyclohexanedicarboxylate
• CAS: 132900-09-5
• 化学式: C₁₂H₂₀O₅
• 分子量: 244.288
• InChiKey: NOJSXNHPHJUTOA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  diethyl 2-hydroxycyclohexane-1,1-dicarboxylate 在 吡啶 、 三氟甲磺酸酐 、 phosphate buffer pH 7.2 作用下， 以 丙酮 为溶剂， 反应 68.0h， 生成 (R)-1-ethoxycarbonyl-2-cyclohexene-1-carboxylic acid
  参考文献：
  名称：

  Chemoenzymatic synthesis of an α-substituted serine derivative

  摘要：

  An asymmetric synthesis of an alpha-substituted serine derivative was achieved by employing PLE-catalyzed hydrolysis of a prochiral malonate derivative, and the absolute configuration of the hydrolyzed product was unambiguously determined by the X-ray analysis of a camphorsulfonic acid derivative. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(99)00270-0
• 作为产物：
  描述：

  2,2-dicarboethoxycyclohexanone 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 5.0h， 以96%的产率得到diethyl 2-hydroxycyclohexane-1,1-dicarboxylate
  参考文献：
  名称：

  Chemoenzymatic synthesis of an α-substituted serine derivative

  摘要：

  An asymmetric synthesis of an alpha-substituted serine derivative was achieved by employing PLE-catalyzed hydrolysis of a prochiral malonate derivative, and the absolute configuration of the hydrolyzed product was unambiguously determined by the X-ray analysis of a camphorsulfonic acid derivative. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(99)00270-0

文献信息

• US4973354A
  申请人：——

  公开号：US4973354A

  公开（公告）日：1990-11-27
• Chemoenzymatic synthesis of an α-substituted serine derivative
  作者：Toshio Honda、Tatsuya Koizumi、Yuki Komatsuzaki、Rie Yamashita、Kazuo Kanai、Hiromasa Nagase

  DOI：10.1016/s0957-4166(99)00270-0

  日期：1999.7

  An asymmetric synthesis of an alpha-substituted serine derivative was achieved by employing PLE-catalyzed hydrolysis of a prochiral malonate derivative, and the absolute configuration of the hydrolyzed product was unambiguously determined by the X-ray analysis of a camphorsulfonic acid derivative. (C) 1999 Elsevier Science Ltd. All rights reserved.