3-phenyl-5-piperonylidene-2-thioxo-imidazolidin-4-one | 451455-79-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: 3-phenyl-5-piperonylidene-2-thioxo-imidazolidin-4-one
• 英文别名: 3-Phenyl-5-piperonyliden-2-thioxo-imidazolidin-4-on；(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-phenyl-2-sulfanylideneimidazolidin-4-one
• CAS: 451455-79-1
• 化学式: C₁₇H₁₂N₂O₃S
• 分子量: 324.36
• InChiKey: SYSOPOIXPRHSOB-JYRVWZFOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  82.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-phenyl-5-piperonylidene-2-thioxo-imidazolidin-4-one 、 碘代醋酸乙酯 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 14.0h， 以89%的产率得到ethyl 2-[(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-5-oxo-1-phenylimidazol-2-yl]sulfanylacetate
  参考文献：
  名称：

  Microwave-mediated solventless synthesis of new derivatives of marine alkaloid Leucettamine B

  摘要：

  New access to N-alkyl derivatives of the marine alkaloid Leucettamine B are described using two three-step convergent routes. For the formation of the 2-amino imidazolone ring, the key steps involve solvent-free condensations under microwaves and guanylation reactions with non-sterically hindered primary amines. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)00575-0
• 作为产物：
  描述：

  胡椒醛 反应 1.5h， 生成 3-phenyl-5-piperonylidene-2-thioxo-imidazolidin-4-one
  参考文献：
  名称：

  Microwave-mediated solventless synthesis of new derivatives of marine alkaloid Leucettamine B

  摘要：

  New access to N-alkyl derivatives of the marine alkaloid Leucettamine B are described using two three-step convergent routes. For the formation of the 2-amino imidazolone ring, the key steps involve solvent-free condensations under microwaves and guanylation reactions with non-sterically hindered primary amines. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)00575-0

文献信息

• Wheeler; Brautlecht, American Chemical Journal, 1911, vol. 45, p. 454
  作者：Wheeler、Brautlecht

  DOI：——

  日期：——
• Microwave-mediated solventless synthesis of new derivatives of marine alkaloid Leucettamine B
  作者：Jean-René Chérouvrier、François Carreaux、Jean Pierre Bazureau

  DOI：10.1016/s0040-4039(02)00575-0

  日期：2002.5

  New access to N-alkyl derivatives of the marine alkaloid Leucettamine B are described using two three-step convergent routes. For the formation of the 2-amino imidazolone ring, the key steps involve solvent-free condensations under microwaves and guanylation reactions with non-sterically hindered primary amines. (C) 2002 Elsevier Science Ltd. All rights reserved.