1,3-dimethyl-2-(1,7,7-trimethyl-bicyclo[2.2.1]hept-2-yloxy)-octahydro-benzo[1,3,2]diazaphosphole | 138051-50-0

• 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: 1,3-dimethyl-2-(1,7,7-trimethyl-bicyclo[2.2.1]hept-2-yloxy)-octahydro-benzo[1,3,2]diazaphosphole
• CAS: 138051-50-0
• 化学式: C₁₈H₃₃N₂OP
• 分子量: 324.447
• InChiKey: GWFLERRBEUZSLT-YXISZKLHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.63
• 重原子数：
  22.0
• 可旋转键数：
  2.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  15.71
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  1,3-dimethyl-2-(1,7,7-trimethyl-bicyclo[2.2.1]hept-2-yloxy)-octahydro-benzo[1,3,2]diazaphosphole 在 sulfur 作用下， 以 氘代苯 、 苯 为溶剂， 生成
  参考文献：
  名称：

  Determination of the absolute configuration of chiral cyclic alcohols using diamine derivatizing agents by 31P NMR spectroscopy

  摘要：

  The absolute configuration and enantiomeric excess of chiral cyclic alcohols can be predicted from the P-31 NMR spectra of the two diastereoisomers obtained with organophosphorus diamino-derivatizing agents (CDAs) and the chiral secondary I alcohol, according to a simplified model taking into account the spatial location of the substituents of the chiral alcohol center and the P NMR signals of the two diastereoisomers. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2006.07.042
• 作为产物：
  描述：

  (1S,2S)-(+)-N,N'-二甲基环己烷-1,2-二胺 在 N,N-二乙基苯胺 、 三氯化磷 作用下， 以 氘代氯仿 为溶剂， 生成 1,3-dimethyl-2-(1,7,7-trimethyl-bicyclo[2.2.1]hept-2-yloxy)-octahydro-benzo[1,3,2]diazaphosphole
  参考文献：
  名称：

  Determination of the absolute configuration of chiral cyclic alcohols using diamine derivatizing agents by 31P NMR spectroscopy

  摘要：

  The absolute configuration and enantiomeric excess of chiral cyclic alcohols can be predicted from the P-31 NMR spectra of the two diastereoisomers obtained with organophosphorus diamino-derivatizing agents (CDAs) and the chiral secondary I alcohol, according to a simplified model taking into account the spatial location of the substituents of the chiral alcohol center and the P NMR signals of the two diastereoisomers. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2006.07.042