8-(2-cyano-1-phenylethyl)hexahydro-1,3,2-oxazaborolo[2,3-b]-1,3,2-oxazaborol-4-ium-8-uide | 1290145-62-8

• 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: 8-(2-cyano-1-phenylethyl)hexahydro-1,3,2-oxazaborolo[2,3-b]-1,3,2-oxazaborol-4-ium-8-uide
• 英文别名: 3-(2,8-Dioxa-5-azonia-1-boranuidabicyclo[3.3.0]octan-1-yl)-3-phenylpropanenitrile
• CAS: 1290145-62-8
• 化学式: C₁₃H₁₇BN₂O₂
• 分子量: 244.101
• InChiKey: UQGDFBLFSBYVPW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.11
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  46.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  频哪醇 、 8-(2-cyano-1-phenylethyl)hexahydro-1,3,2-oxazaborolo[2,3-b]-1,3,2-oxazaborol-4-ium-8-uide 在 盐酸 作用下， 以 正己烷 、 水 为溶剂， 以89%的产率得到3-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-propanenitrile
  参考文献：
  名称：

  A Method for the Deprotection of Alkylpinacolyl Boronate Esters

  摘要：

  A two-step procedure for deprotection of alkylpinacolyl boronate esters via transesterification with diethanolamine followed by hydrolysis was successfully developed with the advantages of tolerance to various functional groups, short reaction time, and ease of product isolation.

  DOI：

  10.1021/jo200250y
• 作为产物：
  描述：

  3-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-propanenitrile 、 二乙醇胺 以 乙醚 为溶剂， 反应 0.5h， 以97%的产率得到8-(2-cyano-1-phenylethyl)hexahydro-1,3,2-oxazaborolo[2,3-b]-1,3,2-oxazaborol-4-ium-8-uide
  参考文献：
  名称：

  A Method for the Deprotection of Alkylpinacolyl Boronate Esters

  摘要：

  A two-step procedure for deprotection of alkylpinacolyl boronate esters via transesterification with diethanolamine followed by hydrolysis was successfully developed with the advantages of tolerance to various functional groups, short reaction time, and ease of product isolation.

  DOI：

  10.1021/jo200250y

文献信息

• A Method for the Deprotection of Alkylpinacolyl Boronate Esters
  作者：Jing Sun、Michael T. Perfetti、Webster L. Santos

  DOI：10.1021/jo200250y

  日期：2011.5.6

  A two-step procedure for deprotection of alkylpinacolyl boronate esters via transesterification with diethanolamine followed by hydrolysis was successfully developed with the advantages of tolerance to various functional groups, short reaction time, and ease of product isolation.