7-(N,N-dimethylcarbamoylthio)-2,2-dimethyl-4-chromanones | 143260-22-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 7-(N,N-dimethylcarbamoylthio)-2,2-dimethyl-4-chromanones
• 英文别名: 2,2-Dimethyl-7-((N,N-dimethylcarbamoyl)thio)-4-chromanone；S-[(2,2-dimethyl-4-oxo-3H-chromen-7-yl)] N,N-dimethylcarbamothioate
• CAS: 143260-22-4
• 化学式: C₁₄H₁₇NO₃S
• 分子量: 279.36
• InChiKey: GXDDTUXDGGMDRY-UHFFFAOYSA-N

物化性质

• 沸点：
  420.7±55.0 °C(Predicted)
• 密度：
  1.25±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  71.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  7-(N,N-dimethylcarbamoylthio)-2,2-dimethyl-4-chromanones 在 镍 作用下， 以 乙醇 为溶剂， 反应 1.0h， 以87%的产率得到2,2-二甲基-苯并二氢吡喃-4-酮
  参考文献：
  名称：

  Modification of Hydroxybenzopyranoids: Facile Deoxygenation of 2,2-Dimethyl-7-hydroxy-4-chromanones and a New Approach to Their Novel Mercapto Analogs

  摘要：

  A facile deoxygenation of a systematic series of substituted 2,2-dimethyl-7-hydroxy-4-chromanones via their sulfonate, isourea, and thiocarbamate derivatives is reported. The synthesis of novel 2,2-dimethyl-7-mercapto-4-chromanones has been accomplished by the hydrolysis of the corresponding thiocarbamates. The scope and limitations of different deoxygenation procedures in the case of these hydroxybenzopyranoids are also presented.

  DOI：

  10.1021/jo00100a038
• 作为产物：
  描述：

  7-(N,N-dimethylthiocarbamoyloxy)-2,2-dimethyl-4-chromanones 以 various solvent(s) 为溶剂， 反应 1.0h， 以94%的产率得到7-(N,N-dimethylcarbamoylthio)-2,2-dimethyl-4-chromanones
  参考文献：
  名称：

  Sebeok, Peter; Timar, Tibor; Eszenyi, Tibor, Synthesis, 1994, # 8, p. 837 - 840

  摘要：

  DOI：

文献信息

• Seboek Peter, Timar Tibor, Eszenyi Tibor, J. Org. Chem, 59 (1994) N 21, S 6318- 6321
  作者：Seboek Peter, Timar Tibor, Eszenyi Tibor

  DOI：——

  日期：——
• Modification of Hydroxybenzopyranoids: Facile Deoxygenation of 2,2-Dimethyl-7-hydroxy-4-chromanones and a New Approach to Their Novel Mercapto Analogs
  作者：Peter Sebok、Tibor Timar、Tibor Eszenyi、Tamas Patonay

  DOI：10.1021/jo00100a038

  日期：1994.10

  A facile deoxygenation of a systematic series of substituted 2,2-dimethyl-7-hydroxy-4-chromanones via their sulfonate, isourea, and thiocarbamate derivatives is reported. The synthesis of novel 2,2-dimethyl-7-mercapto-4-chromanones has been accomplished by the hydrolysis of the corresponding thiocarbamates. The scope and limitations of different deoxygenation procedures in the case of these hydroxybenzopyranoids are also presented.
• Sebeok, Peter; Timar, Tibor; Eszenyi, Tibor, Synthesis, 1994, # 8, p. 837 - 840
  作者：Sebeok, Peter、Timar, Tibor、Eszenyi, Tibor、Patonay, Tamas

  DOI：——

  日期：——