N-(3,5-dicyano-4-(4-chlorophenyl)thiophen-2-yl)acetamide | 1335000-77-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-(3,5-dicyano-4-(4-chlorophenyl)thiophen-2-yl)acetamide
• 英文别名: N-(4-(4-chlorophenyl)-3,5-dicyanothiophen-2-yl)acetamide；N-[4-(4-chlorophenyl)-3,5-dicyanothiophen-2-yl]acetamide
• CAS: 1335000-77-5
• 化学式: C₁₄H₈ClN₃OS
• 分子量: 301.756
• InChiKey: MNUJXXYIWXBKBL-UHFFFAOYSA-N

物化性质

• 熔点：
  298-300 °C(Solvent: Ethyl acetate; Hexane)
• 沸点：
  525.1±50.0 °C(predicted)
• 密度：
  1.45±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  20
• 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：
  105
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  对氯苯乙酰腈 在 硫酸 、 sulfur 作用下， 生成 N-(3,5-dicyano-4-(4-chlorophenyl)thiophen-2-yl)acetamide
  参考文献：
  名称：

  Aminothiophenedicarboxamides and dicyanothiopheneacetamides as effective synthetic molluscicides against Indoplanorbis exustus snail

  摘要：

  New thiophenedicarboxamide 2a-c and dicyanothiopheneacetamide 3a-c derivatives were synthesized and their bioactivity against Indoplanorbis exustus snails was evaluated. The I. exustus snail is a serious host of parasite of genus Schistosoma which infects cattle. Thus reduces livestock productivity and also acts as a source of cercarial dermatitis in human beings. The results obtained show a significant (P < 0.05) molluscicidal activity with LC50 = 0.6043 ppm for compound 2a and LC50 = 0.6511 ppm for compound 3a. (C) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.06.001

文献信息

• Synthesis of new thieno[2,3-d]pyrimidines, thieno[3,2-e]pyridines, and thieno[2,3-d][1,3]oxazines
  作者：Shrikant B. Kanawade、Shivaraj P. Patil、Prashant S. Nikam、Sachin A. Gangurde、Madhukar N. Jachak、Raghunath B. Toche

  DOI：10.1002/jhet.748

  日期：2012.3

  o‐Aminothiophene dicarbonitrile 1 on neat reaction with cyclic ketones in anhydrous ZnCl2 yielded mixture of fused aminopyridine 3 and iminospirooxazine 4 derivatives. Similarly, pyrimidine derivatives 5 and 8 were obtained by the reaction of this intermediate 1 with formic acid and DMF‐DMA followed by hydrazine hydrate, respectively. The reaction of o‐amino‐thiophene dicarboxamide 2 at ambient temperature

  o-氨基噻吩二腈1与无水ZnCl 2中的环酮发生纯反应，可得到熔融的氨基吡啶3和亚氨基螺并恶嗪4衍生物的混合物。同样，嘧啶衍生物5和8是通过中间体1与甲酸和DMF-DMA分别与水合肼反应而获得的。的反应ø -氨基-噻吩二甲酰胺2在环境温度下与环酮，得到spiropyrimidine 10定量产率的鞋底制品。区域选择性芳基嘧啶9，通过分别在哌啶和碘的存在下与芳族醛反应，得到11，和二氢嘧啶12的衍生物。J.杂环化​​学。（2012）。