(2-Sulfanylidenepyridin-1-yl) 2-benzyl-2-fluoropent-4-enoate | 1026671-59-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: (2-Sulfanylidenepyridin-1-yl) 2-benzyl-2-fluoropent-4-enoate
• CAS: 1026671-59-9
• 化学式: C₁₇H₁₆FNO₂S
• 分子量: 317.384
• InChiKey: NXOFNPIMIVXNLB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  61.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (2-Sulfanylidenepyridin-1-yl) 2-benzyl-2-fluoropent-4-enoate 在 三氯溴甲烷 作用下， 反应 1.0h， 生成 (2-Fluoro-2-prop-2-enylpent-4-enyl)benzene
  参考文献：
  名称：

  The first general and efficient method for the synthesis of tertiary alkyl fluorides

  摘要：

  The first general and regioselective method for the synthesis of a wide variety of tertiary alkyl fluorides [R1(R2)C(F)R3] has been developed. This novel method involves the successive introduction of three different alkyl groups onto fluorine-bearing prototertiary carbon fragments.

  DOI：

  10.1021/jo00065a005
• 作为产物：
  描述：

  ethyl α-fluoro-α-nitro-β-phenylpropionate 在 sodium hydroxide 、 偶氮二异丁腈 、 N,N'-二环己基碳二亚胺 作用下， 以 苯 为溶剂， 反应 7.0h， 生成 (2-Sulfanylidenepyridin-1-yl) 2-benzyl-2-fluoropent-4-enoate
  参考文献：
  名称：

  The first general and efficient method for the synthesis of tertiary alkyl fluorides

  摘要：

  The first general and regioselective method for the synthesis of a wide variety of tertiary alkyl fluorides [R1(R2)C(F)R3] has been developed. This novel method involves the successive introduction of three different alkyl groups onto fluorine-bearing prototertiary carbon fragments.

  DOI：

  10.1021/jo00065a005

文献信息

• The first general and efficient method for the synthesis of tertiary alkyl fluorides
  作者：Yoshio Takeuchi、Arihiro Kanada、Shunichi Kawahara、Toru Koizumi

  DOI：10.1021/jo00065a005

  日期：1993.6

  The first general and regioselective method for the synthesis of a wide variety of tertiary alkyl fluorides [R1(R2)C(F)R3] has been developed. This novel method involves the successive introduction of three different alkyl groups onto fluorine-bearing prototertiary carbon fragments.