2-(2-oxo-2-phenylethylthio)oxazole<4,5-b>pyridine | 155471-47-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(2-oxo-2-phenylethylthio)oxazole<4,5-b>pyridine
• 英文别名: 2-(2-oxo-2-phenylethylthio)oxazolo<4,5-b>pyridine；2-([1,3]Oxazolo[4,5-b]pyridin-2-ylsulfanyl)-1-phenylethanone
• CAS: 155471-47-9
• 化学式: C₁₄H₁₀N₂O₂S
• 分子量: 270.312
• InChiKey: XGLILPPECZQRSI-UHFFFAOYSA-N

物化性质

• 沸点：
  447.7±51.0 °C(Predicted)
• 密度：
  1.37±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  81.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(2-oxo-2-phenylethylthio)oxazole<4,5-b>pyridine 在 一水合肼 作用下， 以 溶剂黄146 为溶剂， 反应 96.0h， 生成 2-(3-hydroxy-2-pyridylamino)-5-phenyl-1,3,4-thiadiazine
  参考文献：
  名称：

  2-[(5-Phenyl-2,3-dihydro-6H-1,3,4-thiadiazin-2-ylidene)amino]-3-pyridinol

  摘要：

  The molecules Of C14H12N4OS are dimerized through N-H(endo)...N(exo) hydrogen bonds [N...N 2.971 (3) angstrom] and linked in chains along the a axis by a short O-H...N(py) hydrogen bond [O...N 2.681(2) angstrom]. The thiadiazine ring is in a screw-boat conformation.

  DOI：

  10.1107/s0108270193011916
• 作为产物：
  描述：

  alpha-氯乙酰苯 、 恶唑并[4,5-B]吡啶-2(3H)硫酮 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 4.0h， 以88%的产率得到2-(2-oxo-2-phenylethylthio)oxazole<4,5-b>pyridine
  参考文献：
  名称：

  Ring Transformations of 2-(2-Oxopropyl-, 2-oxo-2-phenylethylthio) Oxazolo[4,5-b]pyridine in the Reaction with N-containing Nucleophiles

  摘要：

  2,3-Dihydro-2-(3-hydroxy-2-piridylimino)-thiazoles 7, 9a-f and 11 are synthesized by ring transformation of 2-(2-oxo-propylthio)oxazolo[4,5-b] pyridine (2) and 2-(2-oxo-2-phenylethylthio)oxazolo-[4,5-b]pyridine (3) in reactions with amines, hydrazine or ammonium acetate.

  DOI：

  10.1080/00397919408011500

文献信息

• Tosheva Madlena, Kalcheva Veneta, Synth. Commun, 24 (1994) N 4, S 495-511
  作者：Tosheva Madlena, Kalcheva Veneta

  DOI：——

  日期：——
• Ring Transformations of 2-(2-Oxopropyl-, 2-oxo-2-phenylethylthio) Oxazolo[4,5-b]pyridine in the Reaction with N-containing Nucleophiles
  作者：Madlena Tosheva、Veneta Kalcheva

  DOI：10.1080/00397919408011500

  日期：1994.2

  2,3-Dihydro-2-(3-hydroxy-2-piridylimino)-thiazoles 7, 9a-f and 11 are synthesized by ring transformation of 2-(2-oxo-propylthio)oxazolo[4,5-b] pyridine (2) and 2-(2-oxo-2-phenylethylthio)oxazolo-[4,5-b]pyridine (3) in reactions with amines, hydrazine or ammonium acetate.
• 2-[(5-Phenyl-2,3-dihydro-6H-1,3,4-thiadiazin-2-ylidene)amino]-3-pyridinol
  作者：J. Macíček、O. Angelova、V. Kalcheva、M. Tosheva

  DOI：10.1107/s0108270193011916

  日期：1994.2.15

  The molecules Of C14H12N4OS are dimerized through N-H(endo)...N(exo) hydrogen bonds [N...N 2.971 (3) angstrom] and linked in chains along the a axis by a short O-H...N(py) hydrogen bond [O...N 2.681(2) angstrom]. The thiadiazine ring is in a screw-boat conformation.