propionylcyanamide | 5634-64-0

• 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: propionylcyanamide
• 英文别名: ethyl-N-cyanoformamidate；N-cyanopropanamide
• CAS: 5634-64-0
• 化学式: C₄H₆N₂O
• 分子量: 98.1044
• InChiKey: RJDIYJGHJWATSB-UHFFFAOYSA-N

物化性质

• 密度：
  1.032 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  7
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  52.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  propionylcyanamide 在 吡啶 、 盐酸羟胺 作用下， 以 乙醇 为溶剂， 生成 3-amino-5-ethyl-1,2,4-oxadiazole
  参考文献：
  名称：

  9H-Xanthene-9-carboxylic acid [1,2,4]oxadiazol-3-yl- and (2H-tetrazol-5-yl)-amides as potent, orally available mGlu1 receptor enhancers

  摘要：

  Small molecule mGluR1 enhancers based on the lead compound (9H-xanthene-9-carbonyl)-carbamic acid butyl ester derived from random-screening hit diphenylacetyl-carbamic acid ethyl ester were designed and synthesized as useful pharmacological tools for the study of the physiological roles mediated by mGlu1 receptors. The synthesis and the structure-activity relationship of this new class of positive allosteric modulators of mGlu1 receptors will be discussed in detail. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.05.135
• 作为产物：
  描述：

  氰胺 、 丙酰氯 在 sodium hydroxide 作用下， 以 丙酮 为溶剂， 以100%的产率得到propionylcyanamide
  参考文献：
  名称：

  9H-Xanthene-9-carboxylic acid [1,2,4]oxadiazol-3-yl- and (2H-tetrazol-5-yl)-amides as potent, orally available mGlu1 receptor enhancers

  摘要：

  Small molecule mGluR1 enhancers based on the lead compound (9H-xanthene-9-carbonyl)-carbamic acid butyl ester derived from random-screening hit diphenylacetyl-carbamic acid ethyl ester were designed and synthesized as useful pharmacological tools for the study of the physiological roles mediated by mGlu1 receptors. The synthesis and the structure-activity relationship of this new class of positive allosteric modulators of mGlu1 receptors will be discussed in detail. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.05.135

文献信息

• Acylated cyanoimido-complexes trans-[Mo(NCN){NCNC(O)R}(dppe)2]Cl and their reactions with electrophiles: chemical, electrochemical and theoretical study
  作者：Elisabete C. B. A. Alegria、M. Fátima C. Guedes da Silva、Maxim L. Kuznetsov、Sónia M. P. R. M. Cunha、Luísa M. D. R. S. Martins、Armando J. L. Pombeiro

  DOI：10.1039/c2dt30867c

  日期：——

  dichloromethane solution of trans-[Mo(NCN)NCNC(O)R}(dppe)2]Cl [R = Me (1a), Et (1b)] (dppe = Ph2PCH2CH2PPh2) with HBF4, [Et3O][BF4] or EtC(O)Cl gives trans-[Mo(NCN)Cl(dppe)2]X [X = BF4 (2a) or Cl (2b)] and the corresponding acylcyanamides NCN(R′)C(O)Et (R′ = H, Et or C(O)Et). X-ray diffraction analysis of 2a (X = BF4) reveals a multiple-bond coordination of the cyanoimide ligand. Compounds 1 convert to

  反式-[Mo（NCN）NCNC（O）R}（dppe）2 ] Cl [R = Me（1a），Et（1b）]的二氯甲烷溶液的处理（dppe = Ph 2 PCH 2 CH 2 PPh 2）与HBF 4一起，[Et 3 O] [BF 4 ]或EtC（O）Cl给出反式-[Mo（NCN）Cl（dppe）2 ] X [X = BF 4（2a）或Cl（2b）]和相应的酰基氰酰胺NCN（R'）C（O）Et（R'= H，Et或C（O）Et）。2a的X射线衍射分析（X = BF 4）揭示了氰亚酰亚胺配体的多键配位。在与过量的NaOMe反应时（形成相应的酯），化合物1转化为双（氰基酰亚胺）反式-[Mo（NCN）2（dppe）2 ]配合物。在非质子介质中和Pt电极上，化合物1（R = Me，Et或Ph）经历阴极诱导的异构化。提出了对伏安行为的完全定量动力学分析，并允许确定一阶速率常数和反式-顺式异构化反应的平衡
• 1,5-substituted 1H-imidazoles
  申请人：Janssen Pharmaceutica N.V.

  公开号：US04994103A1

  公开（公告）日：1991-02-19

  Novel herbicidal 1,5-substituted 1H-imidazole derivatives, compositions containing these compounds as active ingredients, and a method for controlling weeds, preferably selectively in crops of useful plants. Further the invention also relates to a process for making these novel compounds.

  本发明涉及新型除草剂1,5-取代的1H-咪唑衍生物，包含这些化合物作为活性成分的组合物，以及一种用于控制杂草的方法，最好是在有用植物的作物中进行选择性控制。此外，本发明还涉及制备这些新化合物的方法。
• Herbicidal 1,5-substituted 1H-imidazoles
  申请人：Janssen Pharmaceutica N.V.

  公开号：US04878940A1

  公开（公告）日：1989-11-07

  Novel herbicidal 1,5-substituted 1H-imidazole derivatives, compositions containing these compounds as active ingredients, and a method for controlling weeds, preferably selectively in crops of useful plants. Further the invention also relates to a process for making these novel compounds.

  新型除草剂1,5-取代的1H-咪唑衍生物，含有这些化合物作为活性成分的组合物，以及一种控制杂草的方法，最好是在有用植物的农作物中进行选择性控制。此外，本发明还涉及制备这些新型化合物的方法。
• Kretov,A.E.; Momsenko,A.P., Russian Journal of Organic Chemistry, 1965, vol. 1, p. 1765 - 1767
  作者：Kretov,A.E.、Momsenko,A.P.

  DOI：——

  日期：——