(+/-)-1-phenoxy-5-hydroxydecane | 187807-49-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (+/-)-1-phenoxy-5-hydroxydecane
• 英文别名: 1-Phenoxydecan-5-ol；1-phenoxydecan-5-ol
• CAS: 187807-49-4
• 化学式: C₁₆H₂₆O₂
• 分子量: 250.381
• InChiKey: AMHSIOVUEOQWED-UHFFFAOYSA-N

物化性质

• 沸点：
  369.0±25.0 °C(Predicted)
• 密度：
  0.963±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  18
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (+/-)-1-phenoxy-5-hydroxydecane 生成 (R)-1-phenoxy-5-hydroxydecane
  参考文献：
  名称：

  Ljubovic, Edina; Sunjic, Vitomir, Croatica Chemica Acta, 1998, vol. 71, # 1, p. 99 - 117

  摘要：

  DOI：
• 作为产物：
  描述：

  5-phenoxypentanenitrile 在 sodium tetrahydroborate 作用下， 以 甲醇 、 甲苯 为溶剂， 反应 4.5h， 生成 (+/-)-1-phenoxy-5-hydroxydecane
  参考文献：
  名称：

  Ljubovic, Edina; Sunjic, Vitomir, Croatica Chemica Acta, 1998, vol. 71, # 1, p. 99 - 117

  摘要：

  DOI：

文献信息

• Correlation between distance of the perturbing groups and enantioselectivity of the lipase catalyzed acetylation of acyclic sec alcohols
  作者：Edina Ljubović、Vitomir Šunjić

  DOI：10.1016/s0957-4166(96)00484-3

  日期：1997.1

  Study of kinetic resolutions of racemic sec alcohols 1-4, by acetylation to 5-8 with a series of microbial lipases in n-hexane, revealed the broadest selectivity of Geotrichum candidum (GCL) and Candida cylindracea (CCL(S), from Sigma) lipase in accepting these conformationaly flexible substrates. Surprisingly, for both lipases non-monotonous correlation between E-value and the distance (n) of perturbing groups in 1-4 is observed. GCL preferred small and large substrates, whereas CCL preferred medium-size substrates. For GCL lipase a remarkable turnover of enantioselectivity was observed on going from 1-3 to 4, revealing that relative steric requirements of the larger phenoxy group vs. smaller methyl group does not control the enantioselective bias in the latter. For Candida cylindracea (CCL(A), from Amano) lipase the conversion and E vary in a monotonous fashion from smaller to larger substrates. (C) 1997, Elsevier Science Ltd.
• Ljubovic, Edina; Sunjic, Vitomir, Croatica Chemica Acta, 1998, vol. 71, # 1, p. 99 - 117
  作者：Ljubovic, Edina、Sunjic, Vitomir

  DOI：——

  日期：——