2,4-[bis(p-fluorophenyl)-3-azabicyclo[3.3.1]nonan-9-yl]-5-spiro-4-acetyl-2-(acetylamino)-Δ(2)-1,3,4-thiadiazoline | 1233941-09-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 2,4-[bis(p-fluorophenyl)-3-azabicyclo[3.3.1]nonan-9-yl]-5-spiro-4-acetyl-2-(acetylamino)-Δ(2)-1,3,4-thiadiazoline
• 英文别名: N-[4-acetyl-2',4'-bis(4-fluorophenyl)spiro[1,3,4-thiadiazole-5,9'-3-azabicyclo[3.3.1]nonane]-2-yl]acetamide
• CAS: 1233941-09-7
• 化学式: C₂₅H₂₆F₂N₄O₂S
• 分子量: 484.57
• InChiKey: IJZZBUGQGOAEAR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  34
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  99.1
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  [[2,4-Bis(4-fluorophenyl)-3-azabicyclo[3.3.1]nonan-9-ylidene]amino]thiourea 、 乙酸酐 以75%的产率得到2,4-[bis(p-fluorophenyl)-3-azabicyclo[3.3.1]nonan-9-yl]-5-spiro-4-acetyl-2-(acetylamino)-Δ(2)-1,3,4-thiadiazoline
  参考文献：
  名称：

  Efficient Synthesis of Novel 2,4-[Diaryl-3-azabicyclo[3.3.1]nonan-9-yl]-5-spiro-4-acetyl-2-(acetylamino)-Δ ²-1,3,4-thiadiazolines

  摘要：

  2,4-[Diaryl-3-azabicyclo[3.3.1]nonan-9-yl]-5-spiro-4-acetyl-2-(acetylamino)-2-1,3,4-thiadiazoline derivatives (3a-h) have been synthesized by the cyclization of 2,4-diaryl-3-azabicyclo[3.3.1]nonan-9-one thiosemicarbazones (2a-h) under acetylating condition. The synthesized compounds were characterized by analytical and spectral (infrared, 1H NMR, and 13C NMR) studies.

  DOI：

  10.1080/00397910903161694