2-[6-(Trifluoromethyl)-1,3-benzodioxol-5-yl]acetic acid | 1123219-14-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: 2-[6-(Trifluoromethyl)-1,3-benzodioxol-5-yl]acetic acid
• 英文别名: 2-[6-(trifluoromethyl)-1,3-benzodioxol-5-yl]acetic acid
• CAS: 1123219-14-6
• 化学式: C₁₀H₇F₃O₄
• 分子量: 248.158
• InChiKey: WKJAVMDFRKESLI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2,4,5,6-四氨基嘧啶 、 2-[6-(Trifluoromethyl)-1,3-benzodioxol-5-yl]acetic acid 在 亚磷酸三苯酯 作用下， 以 吡啶 为溶剂， 220.0 ℃ 、800.01 kPa 条件下， 反应 0.25h， 以23%的产率得到
  参考文献：
  名称：

  Microwave-assisted one step synthesis of 8-arylmethyl-9H-purin-6-amines

  摘要：

  Molecular chaperone heat shock protein 90 (Hsp90) is an important target in cancer and neurodegenerative diseases, and has rapidly become the focus of several drug discovery efforts. Among small molecule Hsp90 inhibitors with clinical applicability are derivatives of 8-arylmethyl-9H-purin-6-amine class. Here we report the use of microwave-assisted chemistry for the successful one-pot delivery of 8-arylmethyl-9H-purin-6-amines. We discuss the applicability as well as the limitations of this method towards the creation of a large chemical diversity in the 8-arylmethyl-9H-purin-6-amine series. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.11.057

文献信息

• Microwave-assisted one step synthesis of 8-arylmethyl-9H-purin-6-amines
  作者：Hui Tao、Yanlong Kang、Tony Taldone、Gabriela Chiosis

  DOI：10.1016/j.bmcl.2008.11.057

  日期：2009.1

  Molecular chaperone heat shock protein 90 (Hsp90) is an important target in cancer and neurodegenerative diseases, and has rapidly become the focus of several drug discovery efforts. Among small molecule Hsp90 inhibitors with clinical applicability are derivatives of 8-arylmethyl-9H-purin-6-amine class. Here we report the use of microwave-assisted chemistry for the successful one-pot delivery of 8-arylmethyl-9H-purin-6-amines. We discuss the applicability as well as the limitations of this method towards the creation of a large chemical diversity in the 8-arylmethyl-9H-purin-6-amine series. (C) 2008 Elsevier Ltd. All rights reserved.