1-(5-Azidothiophen-2-yl)-2,2,2-trifluoroethanone | 177411-85-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(5-Azidothiophen-2-yl)-2,2,2-trifluoroethanone
• CAS: 177411-85-7
• 化学式: C₆H₂F₃N₃OS
• 分子量: 221.163
• InChiKey: BBAYDHNYKDJTHS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  59.7
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  1-(5-Azidothiophen-2-yl)-2,2,2-trifluoroethanone 以 various solvent(s) 为溶剂， 生成 (Z)-6,6,6-Trifluoro-5-oxo-4-thioxo-hex-2-enenitrile
  参考文献：
  名称：

  Valenti, Francesco; Zanirato, Paolo, Journal of the Chemical Society. Perkin Transactions 2 (2001), 1999, # 3, p. 623 - 627

  摘要：

  DOI：
• 作为产物：
  描述：

  2,5-二溴噻吩 、 N,N-二乙基-2,2,2-三氟乙酰胺 在 正丁基锂 、 对甲苯磺酰叠氮 作用下， 生成 1-(5-Azidothiophen-2-yl)-2,2,2-trifluoroethanone
  参考文献：
  名称：

  One-pot preparation of isomeric acetyl- and 2,2,2-trifluoroacetyl-azidothiophenes by selective bifunctionalization of dibromothiophenes via halogen–lithio exchange

  摘要：

  A series of isomeric acetyl- (1) and 2,2,2-trifluoroacetylazidothiophenes (2) are prepared from 2,3-, 3,4- and 2,5-dibromothiophenes via a one-pot procedure entailing stepwise halogen-lithium exchange and successive reaction of the resulting thienyllithium derivatives with N,N-dimethylacetamide (or N, N-diethyl-2,2,2-trifluoroacetamide) and tosyl azide.

  DOI：

  10.1039/p19960000963

文献信息

• One-pot preparation of isomeric acetyl- and 2,2,2-trifluoroacetyl-azidothiophenes by selective bifunctionalization of dibromothiophenes via halogen–lithio exchange
  作者：Piero Spagnolo、Paolo Zanirato

  DOI：10.1039/p19960000963

  日期：——

  A series of isomeric acetyl- (1) and 2,2,2-trifluoroacetylazidothiophenes (2) are prepared from 2,3-, 3,4- and 2,5-dibromothiophenes via a one-pot procedure entailing stepwise halogen-lithium exchange and successive reaction of the resulting thienyllithium derivatives with N,N-dimethylacetamide (or N, N-diethyl-2,2,2-trifluoroacetamide) and tosyl azide.
• Valenti, Francesco; Zanirato, Paolo, Journal of the Chemical Society. Perkin Transactions 2 (2001), 1999, # 3, p. 623 - 627
  作者：Valenti, Francesco、Zanirato, Paolo

  DOI：——

  日期：——