2-(5-bromopentyl)-2-(trifluoromethyl)-1,3-dioxolane | 647831-26-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(5-bromopentyl)-2-(trifluoromethyl)-1,3-dioxolane
• 英文别名: 2-(5-Bromopentyl)-2-(trifluoromethyl)-1,3-dioxolane
• CAS: 647831-26-3
• 化学式: C₉H₁₄BrF₃O₂
• 分子量: 291.108
• InChiKey: OZKHNWQLWKSOOU-UHFFFAOYSA-N

物化性质

• 沸点：
  253.9±35.0 °C(Predicted)
• 密度：
  1.437±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(5-bromopentyl)-2-(trifluoromethyl)-1,3-dioxolane 在 sodium tetrahydroborate 、 sodium methylate 、 三溴化硼 、 potassium carbonate 作用下， 以 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.5h， 生成 2,6-Diamino-5-(7,7,7-trifluoro-6-hydroxyheptyl)pyrimidin-4(1H)-one
  参考文献：
  名称：

  Design, synthesis, and biological evaluation of simplified α-Keto heterocycle, trifluoromethyl ketone, and formyl substituted folate analogues as potential inhibitors of GAR transformylase and AICAR transformylase

  摘要：

  A series of simplified alpha-keto heterocycle, trifluoromethyl ketone, and formyl substituted folate analogues lacking the benzoylglutamate subunit were prepared and examined as potential inhibitors of glycinamide ribonucleotide transformylase (GAR Tfase) and aminoimidazole carboxamide transformylase (AICAR Tfase). (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(03)00456-5
• 作为产物：
  描述：

  6-溴己酰氯 在 吡啶 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 20.75h， 生成 2-(5-bromopentyl)-2-(trifluoromethyl)-1,3-dioxolane
  参考文献：
  名称：

  Design, synthesis, and biological evaluation of simplified α-Keto heterocycle, trifluoromethyl ketone, and formyl substituted folate analogues as potential inhibitors of GAR transformylase and AICAR transformylase

  摘要：

  A series of simplified alpha-keto heterocycle, trifluoromethyl ketone, and formyl substituted folate analogues lacking the benzoylglutamate subunit were prepared and examined as potential inhibitors of glycinamide ribonucleotide transformylase (GAR Tfase) and aminoimidazole carboxamide transformylase (AICAR Tfase). (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(03)00456-5

文献信息

• Design, synthesis, and biological evaluation of simplified α-Keto heterocycle, trifluoromethyl ketone, and formyl substituted folate analogues as potential inhibitors of GAR transformylase and AICAR transformylase
  作者：Thomas H Marsilje、Michael P Hedrick、Joel Desharnais、Ali Tavassoli、Yan Zhang、Ian A Wilson、Stephen J Benkovic、Dale L Boger

  DOI：10.1016/s0968-0896(03)00456-5

  日期：2003.10

  A series of simplified alpha-keto heterocycle, trifluoromethyl ketone, and formyl substituted folate analogues lacking the benzoylglutamate subunit were prepared and examined as potential inhibitors of glycinamide ribonucleotide transformylase (GAR Tfase) and aminoimidazole carboxamide transformylase (AICAR Tfase). (C) 2003 Elsevier Ltd. All rights reserved.