(cis-cyclobutane-1,2-diyl)-di-acetic acid dimethyl ester | 55564-06-2

• 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: (cis-cyclobutane-1,2-diyl)-di-acetic acid dimethyl ester
• 英文别名: (cis-Cyclobutan-1,2-diyl)-di-essigsaeure-dimethylester；methyl 2-[(1S,2R)-2-(2-methoxy-2-oxoethyl)cyclobutyl]acetate
• CAS: 55564-06-2
• 化学式: C₁₀H₁₆O₄
• 分子量: 200.235
• InChiKey: OPJNTXBQJSNBBZ-OCAPTIKFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (cis-cyclobutane-1,2-diyl)-di-acetic acid dimethyl ester 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 以95%的产率得到methyl (1S,5S)-3-oxobicyclo[3.2.0]heptane-2-carboxylate
  参考文献：
  名称：

  Synthesis and in vivo evaluation of bicyclic gababutins

  摘要：

  Synthesis of a number of bicyclic five-membered ring derivatives of gabapentin led to the identification of two compounds, (-)-(11A) and (20A) which both had an excellent level of potency against alpha(2)delta and were pro. led in an in vivo model of neuropathic pain. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.11.118
• 作为产物：
  描述：

  (1r,6c)-bicyclo[4.2.0]oct-3-ene 以85的产率得到(cis-cyclobutane-1,2-diyl)-di-acetic acid dimethyl ester
  参考文献：
  名称：

  Bioorg. Med. Chem. Lett. 2010, 20, 461-464

  摘要：

  DOI：

文献信息

• Paquette Leo A., Watson Timothy J., Friedrich Dirk, Bishop Roger, Bacque +, J. Org. Chem, 59 (1994) N 19, S 5700-5707
  作者：Paquette Leo A., Watson Timothy J., Friedrich Dirk, Bishop Roger, Bacque +

  DOI：——

  日期：——
• Synthesis and in vivo evaluation of bicyclic gababutins
  作者：David C. Blakemore、Justin S. Bryans、Pauline Carnell、Christopher L. Carr、Nicola E.A. Chessum、Mark J. Field、Natasha Kinsella、Simon A. Osborne、Andrew N. Warren、Sophie C. Williams

  DOI：10.1016/j.bmcl.2009.11.118

  日期：2010.1

  Synthesis of a number of bicyclic five-membered ring derivatives of gabapentin led to the identification of two compounds, (-)-(11A) and (20A) which both had an excellent level of potency against alpha(2)delta and were pro. led in an in vivo model of neuropathic pain. (C) 2009 Elsevier Ltd. All rights reserved.
• Bioorg. Med. Chem. Lett. 2010, 20, 461-464
  作者：

  DOI：——

  日期：——