5-(3-hydroxy-benzo[b]thiophen-2-yl)-3, 3-dimethyl-5-oxo-pentanoic acid ethyl ester | 1276688-33-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: 5-(3-hydroxy-benzo[b]thiophen-2-yl)-3, 3-dimethyl-5-oxo-pentanoic acid ethyl ester
• 英文别名: Ethyl 5-(3-hydroxy-1-benzothiophen-2-yl)-3,3-dimethyl-5-oxopentanoate；ethyl 5-(3-hydroxy-1-benzothiophen-2-yl)-3,3-dimethyl-5-oxopentanoate
• CAS: 1276688-33-5
• 化学式: C₁₇H₂₀O₄S
• 分子量: 320.409
• InChiKey: AFORSHBBMAEZPF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  91.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  乙醇 、 5-(3-hydroxybenzo[b]thiophen-2-yl)-3,3-dimethyl-5-oxopentanoic acid 在 samarium(III) chloride 作用下， 反应 72.0h， 以94%的产率得到5-(3-hydroxy-benzo[b]thiophen-2-yl)-3, 3-dimethyl-5-oxo-pentanoic acid ethyl ester
  参考文献：
  名称：

  Highly Chemoselective Esterification Reactions and Boc/THP/TBDMS Discriminating Deprotections under Samarium(III) Catalysis

  摘要：

  The usefulness of SmCl(3) as an excellent catalyst for chemoselective esterifications and selective removal of acid sensitive protecting groups such as Boc, THP, and TBDMS in the presence of one another is demonstrated through suitable examples.

  DOI：

  10.1021/ol200247c

文献信息

• Highly Chemoselective Esterification Reactions and Boc/THP/TBDMS Discriminating Deprotections under Samarium(III) Catalysis
  作者：Pushparathinam Gopinath、Surapaneni Nilaya、Kannoth Manheri Muraleedharan

  DOI：10.1021/ol200247c

  日期：2011.4.15

  The usefulness of SmCl(3) as an excellent catalyst for chemoselective esterifications and selective removal of acid sensitive protecting groups such as Boc, THP, and TBDMS in the presence of one another is demonstrated through suitable examples.