(5R)-2,3,4,5-tetrahydro-1-benzothiepin-5-ol | 1421607-33-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并硫平类
• 英文名称: (5R)-2,3,4,5-tetrahydro-1-benzothiepin-5-ol
• CAS: 1421607-33-1
• 化学式: C₁₀H₁₂OS
• mdl: MFCD22392103
• 分子量: 180.271
• InChiKey: KAFZCUFUJCWFTO-SECBINFHSA-N

物化性质

• 沸点：
  306.0±21.0 °C(Predicted)
• 密度：
  1.198±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  45.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  5-acetoxy-2,3,4,5-tetrahydro-benzo[b]thiepine 在 Burkholderia cepacia Amano-PS lipase; immobilized on diatomaceous earth 作用下， 以 aq. phosphate buffer 、 甲基叔丁基醚 为溶剂， 反应 60.0h， 以13%的产率得到(5R)-2,3,4,5-tetrahydro-1-benzothiepin-5-ol
  参考文献：
  名称：

  Enzymatic resolution of chroman-4-ol and its core analogues with Burkholderia cepacia lipase

  摘要：

  A convenient protocol for lipase resolution of chroman-4-ol and its analogues (six- and seven-membered rings with O, S, SO2) has been elaborated. The structure of substrates has minor influence on the efficiency of resolution. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2014.02.010

文献信息

• Enzymatic resolution of chroman-4-ol and its core analogues with Burkholderia cepacia lipase
  作者：Olexandr V. Kucher、Anastasiya O. Kolodyazhnaya、Oleg B. Smolii、Alexandr I. Boiko、Vladimir S. Kubyshkin、Pavel K. Mykhailiuk、Andrey A. Tolmachev

  DOI：10.1016/j.tetasy.2014.02.010

  日期：2014.4

  A convenient protocol for lipase resolution of chroman-4-ol and its analogues (six- and seven-membered rings with O, S, SO2) has been elaborated. The structure of substrates has minor influence on the efficiency of resolution. (C) 2014 Elsevier Ltd. All rights reserved.