3-methyl-N-[(3-nitrophenyl)carbamothioyl]benzamide | 429623-45-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-methyl-N-[(3-nitrophenyl)carbamothioyl]benzamide
• CAS: 429623-45-0
• 化学式: C₁₅H₁₃N₃O₃S
• 分子量: 315.353
• InChiKey: MQMJKQWCJDNCEM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  119
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-methyl-N-[(3-nitrophenyl)carbamothioyl]benzamide 、 苯乙酮 在 溴 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以56%的产率得到2-(3-methylbenzoyl)imino-3-(3-nitrophenyl)-4-phenyl-1,3-thiazoline
  参考文献：
  名称：

  Synthesis and Crystal Structure of Some Novel 2-Aroylimino-3-aryl-4-phenyl-1,3-thiazolines

  摘要：

  An efficient synthesis of some novel 2-aroylimino-3-aryl-4-phenyl-1,3-thiazolines was carried out by base-catalyzed cyclization of 1-aroyl-3-arylthioureas with acetophenone in the presence of bromine. The structures were confirmed by spectroscopic data, elemental analyses, and in one case (2t) by single-crystal X-ray diffraction data.

  DOI：

  10.1080/00397910802026212
• 作为产物：
  描述：

  3-甲基异硫氰酸苄酯 、 间硝基苯胺 以 丙酮 为溶剂， 生成 3-methyl-N-[(3-nitrophenyl)carbamothioyl]benzamide
  参考文献：
  名称：

  Synthesis and Crystal Structure of Some Novel 2-Aroylimino-3-aryl-4-phenyl-1,3-thiazolines

  摘要：

  An efficient synthesis of some novel 2-aroylimino-3-aryl-4-phenyl-1,3-thiazolines was carried out by base-catalyzed cyclization of 1-aroyl-3-arylthioureas with acetophenone in the presence of bromine. The structures were confirmed by spectroscopic data, elemental analyses, and in one case (2t) by single-crystal X-ray diffraction data.

  DOI：

  10.1080/00397910802026212

文献信息

• Synthesis and Crystal Structure of Some Novel 2-Aroylimino-3-aryl-4-phenyl-1,3-thiazolines
  作者：Aamer Saeed、Sabah Zaman、Michael Bolte

  DOI：10.1080/00397910802026212

  日期：2008.6.20

  An efficient synthesis of some novel 2-aroylimino-3-aryl-4-phenyl-1,3-thiazolines was carried out by base-catalyzed cyclization of 1-aroyl-3-arylthioureas with acetophenone in the presence of bromine. The structures were confirmed by spectroscopic data, elemental analyses, and in one case (2t) by single-crystal X-ray diffraction data.