5-(6-bromo-2-methylbenzo[b]thiophen-3-yl)-5-oxopentanoic acid | 1422739-53-4

• 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-(6-bromo-2-methylbenzo[b]thiophen-3-yl)-5-oxopentanoic acid
• 英文别名: 5-(6-Bromo-2-methyl-1-benzothiophen-3-yl)-5-oxopentanoic acid；5-(6-bromo-2-methyl-1-benzothiophen-3-yl)-5-oxopentanoic acid
• CAS: 1422739-53-4
• 化学式: C₁₄H₁₃BrO₃S
• 分子量: 341.225
• InChiKey: FKTDPYLWIFXEDR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  82.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-(6-bromo-2-methylbenzo[b]thiophen-3-yl)-5-oxopentanoic acid 以 二氯甲烷 为溶剂， 反应 16.75h， 生成 5-(6-bromo-2-methylbenzo[b]thiophen-3-yl)-N-methoxy-N-methyl-5-oxopentanamide
  参考文献：
  名称：

  Synthesis of a ferrocene-functionalized unsymmetrical benzo[b]thienyl-thienylethene photoswitch with a cyclopentene core

  摘要：

  A new and potentially general synthetic route toward unsymmetrical benzo[b]thienyl-thienylethene compounds is described, with specific focus on conjugation of a ferrocene to the benzo[b]thiophene subunit. The route proceeds in an overall yield of 17%. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.01.033
• 作为产物：
  描述：

  6-溴苯并[B]噻吩-2-甲醇 在 aluminum (III) chloride 、 三乙基硼氢化锂 、 三乙胺 作用下， 以 四氢呋喃 、 正己烷 、 二氯甲烷 为溶剂， 反应 23.5h， 生成 5-(6-bromo-2-methylbenzo[b]thiophen-3-yl)-5-oxopentanoic acid
  参考文献：
  名称：

  Synthesis of a ferrocene-functionalized unsymmetrical benzo[b]thienyl-thienylethene photoswitch with a cyclopentene core

  摘要：

  A new and potentially general synthetic route toward unsymmetrical benzo[b]thienyl-thienylethene compounds is described, with specific focus on conjugation of a ferrocene to the benzo[b]thiophene subunit. The route proceeds in an overall yield of 17%. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.01.033

文献信息

• Synthesis of a ferrocene-functionalized unsymmetrical benzo[b]thienyl-thienylethene photoswitch with a cyclopentene core
  作者：Nathaniel B. Zuckerman、Xiongwu Kang、Shaowei Chen、Joseph P. Konopelski

  DOI：10.1016/j.tetlet.2013.01.033

  日期：2013.3

  A new and potentially general synthetic route toward unsymmetrical benzo[b]thienyl-thienylethene compounds is described, with specific focus on conjugation of a ferrocene to the benzo[b]thiophene subunit. The route proceeds in an overall yield of 17%. (C) 2013 Elsevier Ltd. All rights reserved.