(+/-)-1-(isoquinolin-3-yl)-2-methylpropan-1-ol | 362057-26-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: (+/-)-1-(isoquinolin-3-yl)-2-methylpropan-1-ol
• 英文别名: 1-Isoquinolin-3-yl-2-methylpropan-1-ol；1-isoquinolin-3-yl-2-methylpropan-1-ol
• CAS: 362057-26-9
• 化学式: C₁₃H₁₅NO
• 分子量: 201.268
• InChiKey: KOTGWMVUCQKDDP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  33.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 (+/-)-1-(isoquinolin-3-yl)-2-methylpropan-1-ol 在 4-二甲氨基吡啶 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以85%的产率得到(+/-)-acetic acid 1-(isoquinolin-3-yl)-2-methylpropyl ester
  参考文献：
  名称：

  Homochiral isoquinolines by lipase-catalysed resolution and their diastereoselective functionalisation

  摘要：

  Kinetic resolution of racemic isoquinoline alcohols and acetates has been successfully accomplished using lipases as chiral catalysts, The diastereoselective functionalisation of the isoquinoline moiety through the addition of C-nucleophiles to O-protected alcohol 9a in the presence of phenyl chloroformate has been carried out and dihydroquinolyl alcohol derivatives with high diastereomeric excess have been prepared. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(01)00178-1
• 作为产物：
  描述：

  2-(1,3-dioxolan-2-yl)benzaldehyde 在 盐酸 、 sodium azide 、 二异丁基氢化铝 、 三甲氧基磷 作用下， 以 四氢呋喃 、 乙醚 、 二氯甲烷 、 N,N-二甲基甲酰胺 、 苯 为溶剂， 反应 4.0h， 生成 (+/-)-1-(isoquinolin-3-yl)-2-methylpropan-1-ol
  参考文献：
  名称：

  Homochiral isoquinolines by lipase-catalysed resolution and their diastereoselective functionalisation

  摘要：

  Kinetic resolution of racemic isoquinoline alcohols and acetates has been successfully accomplished using lipases as chiral catalysts, The diastereoselective functionalisation of the isoquinoline moiety through the addition of C-nucleophiles to O-protected alcohol 9a in the presence of phenyl chloroformate has been carried out and dihydroquinolyl alcohol derivatives with high diastereomeric excess have been prepared. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(01)00178-1

文献信息

• Homochiral isoquinolines by lipase-catalysed resolution and their diastereoselective functionalisation
  作者：Giuseppe Guanti、Renata Riva

  DOI：10.1016/s0957-4166(01)00178-1

  日期：2001.5

  Kinetic resolution of racemic isoquinoline alcohols and acetates has been successfully accomplished using lipases as chiral catalysts, The diastereoselective functionalisation of the isoquinoline moiety through the addition of C-nucleophiles to O-protected alcohol 9a in the presence of phenyl chloroformate has been carried out and dihydroquinolyl alcohol derivatives with high diastereomeric excess have been prepared. (C) 2001 Elsevier Science Ltd. All rights reserved.