3-phenylamino-5-phenylmethylene-2-thioxo-4-imidazolidinone | 821781-86-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 3-phenylamino-5-phenylmethylene-2-thioxo-4-imidazolidinone
• 英文别名: 3-Anilino-5-benzylidene-2-sulfanylideneimidazolidin-4-one；3-anilino-5-benzylidene-2-sulfanylideneimidazolidin-4-one
• CAS: 821781-86-6
• 化学式: C₁₆H₁₃N₃OS
• 分子量: 295.365
• InChiKey: PZCPFZKZYWSZJB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  76.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-溴丙酸乙酯 、 3-phenylamino-5-phenylmethylene-2-thioxo-4-imidazolidinone 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 3.0h， 以74%的产率得到2-(1-ethoxycarbonylethylthio)-3-phenylamino-5-phenylmethylene-4H-imidazol-4-one
  参考文献：
  名称：

  SYNTHESIS AND FUNGICIDAL ACTIVITIES OF DERIVATIVES OF 2-ALKYLTHIO-3-AMINO-4H-IMIDAZOL-4-ONE

  摘要：

  2-Alkyllhio-3-plietiylamino-5-aryltmethylene-4H-imidazol-4-ones 5 were synthesized by S-alkylation of 3-phenylamino-2-thioxo-4-imidazolidinones 4, which were obtained via cyclization of isothiocyanates 2 with phenylhydrazine in presence of solid potassium carbonate. Compound 5 exhibited fungicidal activity.

  DOI：

  10.1080/10426500490484977
• 作为产物：
  描述：

  ethyl 3-phenyl-2-[(triphenyl-λ5-phosphanylidene)amino]prop-2-enoate 在 potassium carbonate 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 30.0h， 生成 3-phenylamino-5-phenylmethylene-2-thioxo-4-imidazolidinone
  参考文献：
  名称：

  SYNTHESIS AND FUNGICIDAL ACTIVITIES OF DERIVATIVES OF 2-ALKYLTHIO-3-AMINO-4H-IMIDAZOL-4-ONE

  摘要：

  2-Alkyllhio-3-plietiylamino-5-aryltmethylene-4H-imidazol-4-ones 5 were synthesized by S-alkylation of 3-phenylamino-2-thioxo-4-imidazolidinones 4, which were obtained via cyclization of isothiocyanates 2 with phenylhydrazine in presence of solid potassium carbonate. Compound 5 exhibited fungicidal activity.

  DOI：

  10.1080/10426500490484977

文献信息

• SYNTHESIS AND FUNGICIDAL ACTIVITIES OF DERIVATIVES OF 2-ALKYLTHIO-3-AMINO-4<i>H</i>-IMIDAZOL-4-ONE
  作者：Ming-Wu Ding、Yun-Feng Chen、Nian-Yu Huang

  DOI：10.1080/10426500490484977

  日期：2004.11.1

  2-Alkyllhio-3-plietiylamino-5-aryltmethylene-4H-imidazol-4-ones 5 were synthesized by S-alkylation of 3-phenylamino-2-thioxo-4-imidazolidinones 4, which were obtained via cyclization of isothiocyanates 2 with phenylhydrazine in presence of solid potassium carbonate. Compound 5 exhibited fungicidal activity.