ethyl N-carbamate | 64572-89-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: ethyl N-carbamate
• 英文别名: N-(4,6-dimethylpyrimidine-2-yl)-N’-ethoxycarbonyl thiourea；N-Ethoxycarbonyl-N'-<2-(4,6-dimethyl)-pyrimidyl>thioharnstoff；4-(4,6-dimethyl-pyrimidin-2-yl)-3-thio-allophanic acid ethyl ester；ethyl N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]carbamate
• CAS: 64572-89-0
• 化学式: C₁₀H₁₄N₄O₂S
• 分子量: 254.313
• InChiKey: AFJFSDILTQEWQO-UHFFFAOYSA-N

物化性质

• 熔点：
  183-184 °C
• 密度：
  1.306±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  108
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl N-carbamate 在 sodium hydroxide 作用下， 以90%的产率得到1-(4',6'-dimethylpyrimidin-2-yl)thiourea
  参考文献：
  名称：

  Hurst, Derek T.; Stacey, Anthony D.; Nethercleft, Mark, Australian Journal of Chemistry, 1988, vol. 41, # 8, p. 1221 - 1229

  摘要：

  DOI：
• 作为产物：
  描述：

  2-氨基-4,6-二甲基嘧啶 生成 ethyl N-carbamate
  参考文献：
  名称：

  KOREN B.; STANOVNIK B.; TISLER M., J. HETEROCYCL. CHEM. , 1977, 14, NO 4, 621-625

  摘要：

  DOI：

文献信息

• Synthesis, Crystal Structure and Herbicidal Activity of a Series of [1,2,4]Triazolo[1,5-a]pyrimidine-2-sulfonamide Compounds
  作者：Jin-Sheng Gao、Guang-Feng Hou、Yi-Chao Ma、Ying-Hui Yu、Ji-Han Huang

  DOI：10.3987/com-16-13415

  日期：——

  With the aim of obtaining efficient, safe and environmentally friendly green herbicide, a series of [1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide compounds (8a-8f) were synthesized by reacting 2-amino-5,7-(bis-substituted)1,2,4-triazolo[1,5-c]pyrimidine (4a and 4b) with 2-substituted-6-trifluoromethylbenzenesulfonyl chloride (7a-7c). And their structures were characterized by C-13-NMR, HRMS, FTIR, single-crystal X-ray diffraction, elemental analysis. Moreover, their herbicidal activities against six species of weeds were evaluated. Three target compounds such as 8a, 8c and 8e, exhibited significant postemergence herbicidal activity against some common dicotyledons and monocotyledons under different concentrations. The structure and activity relationship is discussed based on the herbicidal performances of the compounds with different substituents. The investigation results indicated that the above structures could serve as lead compounds for the development of new herbicides.
• Koren,B. et al., Journal of Heterocyclic Chemistry, 1977, vol. 14, p. 621 - 625
  作者：Koren,B. et al.

  DOI：——

  日期：——
• HURST, DEREK T.;STACEY, ANTHONY D.;NETHERCLEFT, MARK;RAHIM, AMJAD;HARNDEN+, AUSTRAL. J. CHEM., 41,(1988) N, C. 1221-1229
  作者：HURST, DEREK T.、STACEY, ANTHONY D.、NETHERCLEFT, MARK、RAHIM, AMJAD、HARNDEN+

  DOI：——

  日期：——
• Hurst, Derek T.; Stacey, Anthony D.; Nethercleft, Mark, Australian Journal of Chemistry, 1988, vol. 41, # 8, p. 1221 - 1229
  作者：Hurst, Derek T.、Stacey, Anthony D.、Nethercleft, Mark、Rahim, Amjad、Harnden, Michael R.

  DOI：——

  日期：——
• KOREN B.; STANOVNIK B.; TISLER M., J. HETEROCYCL. CHEM. <JHTC-AD>, 1977, 14, NO 4, 621-625
  作者：KOREN B.、 STANOVNIK B.、 TISLER M.

  DOI：——

  日期：——