ethyl (5-(5-amino-2-phenyloxazol-4-yl)-1,3,4-thiadiazol-2-yl)carbamate | 1028193-25-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: ethyl (5-(5-amino-2-phenyloxazol-4-yl)-1,3,4-thiadiazol-2-yl)carbamate
• CAS: 1028193-25-0
• 化学式: C₁₄H₁₃N₅O₃S
• 分子量: 331.355
• InChiKey: NMPJGXJAAUDDAX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.01
• 重原子数：
  23.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  116.16
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  ethyl (5-(5-amino-2-phenyloxazol-4-yl)-1,3,4-thiadiazol-2-yl)carbamate 在 水 、 溶剂黄146 作用下， 以90%的产率得到ethyl (5-(2-amino-1-benzamido-2-oxoethyl)-1,3,4-thiadiazol-2-yl)carbamate
  参考文献：
  名称：

  Reaction of 2-aryl(methyl)-4-cyano-5-hydrazino-1,3-oxazoles with aryl Isothiocyanates

  摘要：

  Accessible 2-aryl(methyl)-4-cyano-5-hydrazino-1,3-oxazoles add to aryl isothiocyanates. The resulting products undergo recyclization to form new 1,3,4-thiadiazole derivatives hearing an acylamino group on C-2 and an (acylamino)(cyano)methyl group on C-5. The structure of the new compounds was proved by their IR and H-1 NMR spectra, as well as by conversion in other 1,3,4-thiadiazole derivatives.

  DOI：

  10.1134/s1070363207050209
• 作为产物：
  描述：

  5-肼基-2-苯基-1,3-恶唑-4-甲腈 在 三氟乙酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 0.42h， 生成 ethyl (5-(5-amino-2-phenyloxazol-4-yl)-1,3,4-thiadiazol-2-yl)carbamate
  参考文献：
  名称：

  Reaction of 2-aryl(methyl)-4-cyano-5-hydrazino-1,3-oxazoles with aryl Isothiocyanates

  摘要：

  Accessible 2-aryl(methyl)-4-cyano-5-hydrazino-1,3-oxazoles add to aryl isothiocyanates. The resulting products undergo recyclization to form new 1,3,4-thiadiazole derivatives hearing an acylamino group on C-2 and an (acylamino)(cyano)methyl group on C-5. The structure of the new compounds was proved by their IR and H-1 NMR spectra, as well as by conversion in other 1,3,4-thiadiazole derivatives.

  DOI：

  10.1134/s1070363207050209