[(2R)-2-benzylspiro[2.4]hepta-4,6-dien-2-yl]methanol | 603109-98-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [(2R)-2-benzylspiro[2.4]hepta-4,6-dien-2-yl]methanol
• CAS: 603109-98-4
• 化学式: C₁₅H₁₆O
• 分子量: 212.291
• InChiKey: JRFLAOBCXMZYNL-OAHLLOKOSA-N

物化性质

• 沸点：
  331.7±11.0 °C(Predicted)
• 密度：
  1.14±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  叔丁基二甲基氯硅烷 、 [(2R)-2-benzylspiro[2.4]hepta-4,6-dien-2-yl]methanol 在 咪唑 作用下， 以97%的产率得到[(2R)-2-benzylspiro[2.4]hepta-4,6-dien-2-yl]methoxy-tert-butyl-dimethylsilane
  参考文献：
  名称：

  Dipodal ligands from chiral spiro[2.4]hepta-4,6-dienes: solid state conformational effects by tether substitution in dipodal η5,η1-CpP–ruthenium(II) complexes

  摘要：

  New chiral spiro[2.4]hepta-4,6-dienes were prepared and used in an efficient synthesis of cyclopentadienyl ruthenium complexes with pendant phosphine donors. Solid state structures reveal a conformation trend among three structurally homologous complexes that involves subtle twisting about the tether with increasing substitution at the alpha carbon. These results suggest architectural requirements for future ligand designs. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)01323-6
• 作为产物：
  描述：

  (S)-(2-benzyloxiran-2-yl)methanol 在 三乙胺 作用下， 生成 [(2R)-2-benzylspiro[2.4]hepta-4,6-dien-2-yl]methanol
  参考文献：
  名称：

  Dipodal ligands from chiral spiro[2.4]hepta-4,6-dienes: solid state conformational effects by tether substitution in dipodal η5,η1-CpP–ruthenium(II) complexes

  摘要：

  New chiral spiro[2.4]hepta-4,6-dienes were prepared and used in an efficient synthesis of cyclopentadienyl ruthenium complexes with pendant phosphine donors. Solid state structures reveal a conformation trend among three structurally homologous complexes that involves subtle twisting about the tether with increasing substitution at the alpha carbon. These results suggest architectural requirements for future ligand designs. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)01323-6

文献信息

• Dipodal ligands from chiral spiro[2.4]hepta-4,6-dienes: solid state conformational effects by tether substitution in dipodal η5,η1-CpP–ruthenium(II) complexes
  作者：Jeffrey S.T. Gorman、Vincent Lynch、Brian L. Pagenkopf、Brandon Young

  DOI：10.1016/s0040-4039(03)01323-6

  日期：2003.7

  New chiral spiro[2.4]hepta-4,6-dienes were prepared and used in an efficient synthesis of cyclopentadienyl ruthenium complexes with pendant phosphine donors. Solid state structures reveal a conformation trend among three structurally homologous complexes that involves subtle twisting about the tether with increasing substitution at the alpha carbon. These results suggest architectural requirements for future ligand designs. (C) 2003 Elsevier Science Ltd. All rights reserved.