2-(2-(4-butoxyphenyl)-4H-benzo[d][1,3]thiazin-4-yl)acetonitrile | 1097834-64-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻嗪类
• 英文名称: 2-(2-(4-butoxyphenyl)-4H-benzo[d][1,3]thiazin-4-yl)acetonitrile
• 英文别名: 2-[2-(4-butoxyphenyl)-4H-3,1-benzothiazin-4-yl]acetonitrile
• CAS: 1097834-64-4
• 化学式: C₂₀H₂₀N₂OS
• 分子量: 336.458
• InChiKey: IURUMVYCPOIBPS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  70.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-butoxy-N-{2-[(E)-2-cyanovinyl]phenyl}benzamide 在 劳森试剂 作用下， 以 甲苯 为溶剂， 反应 4.0h， 以41%的产率得到2-(2-(4-butoxyphenyl)-4H-benzo[d][1,3]thiazin-4-yl)acetonitrile
  参考文献：
  名称：

  A Straightforward Synthesis of Benzothiazines

  摘要：

  A series of 4H-3,1-benzothiazines have been successfully synthesized through a three-step sequence starting from commercially available 2-iodoaniline. The key step consists of the cyclization of compounds 6 via an intramolecular S-conjugate addition. The synthesis is straightforward, gives good yields and offers a broad range of possibilities since R can be many alkyl or aryl groups and Z a suitable electron-withdrawing functionalization.

  DOI：

  10.1021/ol802346r

文献信息

• A Straightforward Synthesis of Benzothiazines
  作者：Carolina Gimbert、Adelina Vallribera

  DOI：10.1021/ol802346r

  日期：2009.1.15

  A series of 4H-3,1-benzothiazines have been successfully synthesized through a three-step sequence starting from commercially available 2-iodoaniline. The key step consists of the cyclization of compounds 6 via an intramolecular S-conjugate addition. The synthesis is straightforward, gives good yields and offers a broad range of possibilities since R can be many alkyl or aryl groups and Z a suitable electron-withdrawing functionalization.