(+)-1-[(1S,5R)-6,6-dimethylbicyclo[3.1.0]hex-2-en-2-yl]ethyl acetate | 1239703-73-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (+)-1-[(1S,5R)-6,6-dimethylbicyclo[3.1.0]hex-2-en-2-yl]ethyl acetate
• 英文别名: 1-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.0]hex-2-enyl]ethyl acetate
• CAS: 1239703-73-1
• 化学式: C₁₂H₁₈O₂
• 分子量: 194.274
• InChiKey: XNMSVWLQMZRIGV-RFSDDRETSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (+)-1-[(1S,5R)-6,6-dimethylbicyclo[3.1.0]hex-2-en-2-yl]ethyl acetate 在 吡啶 、 lithium aluminium tetrahydride 作用下， 反应 24.0h， 生成 1-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.0]hex-2-enyl]ethyl 4-methylbenzenesulfonate
  参考文献：
  名称：

  Walkowicz, Miroslaw; Walkowicz, Cecylia; Lochynski, Stanislaw, Polish Journal of Chemistry, 1981, vol. 55, # 10, p. 2007 - 2013

  摘要：

  DOI：
• 作为产物：
  描述：

  (+)-(1S,1'RS,5R)-2-(1'-hydroxyethyl)-6,6-dimethylbicyclo<3.1.0>hex-2-ene 在 吡啶 、 sodium acetate 作用下， 以 溶剂黄146 为溶剂， 反应 30.0h， 生成 (+)-1-[(1S,5R)-6,6-dimethylbicyclo[3.1.0]hex-2-en-2-yl]ethyl acetate
  参考文献：
  名称：

  Walkowicz, Miroslaw; Walkowicz, Cecylia; Lochynski, Stanislaw, Polish Journal of Chemistry, 1981, vol. 55, # 10, p. 2007 - 2013

  摘要：

  DOI：

文献信息

• Stereochemistry of terpene derivatives. Part 6: Chemoenzymatic synthesis of chiral bicyclo[3.1.0]hexane derivatives with olfactory properties
  作者：Renata Kuriata、Kamila Gajcy、Ilona Turowska-Tyrk、Stanisław Lochyński

  DOI：10.1016/j.tetasy.2010.04.052

  日期：2010.4

  Starting from (+)-3-carene 1, several chiral fragrant compounds with the bicyclo[3 1.0]hexane system were synthesized. These compounds were used as substrates for the biotransformation with lipases as biocatalysts Pure diastereoisomers were obtained and their absolute configuration was confirmed by X-ray crystallography The olfactory properties of new compounds were determined (C) 2010 Elsevier Ltd All rights reserved
• WALKOWICZ, M.;WALKOWICZ, C.;LOCHYNSKI, S., POL. J. CHEM., 1981, 55, N 10, 2007-2013
  作者：WALKOWICZ, M.、WALKOWICZ, C.、LOCHYNSKI, S.

  DOI：——

  日期：——