3-amino-5-ethyl-1,2,4-oxadiazole | 171006-96-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-amino-5-ethyl-1,2,4-oxadiazole
• 英文别名: 5-Ethyl-1,2,4-oxadiazol-3-amine
• CAS: 171006-96-5
• 化学式: C₄H₇N₃O
• mdl: MFCD11847810
• 分子量: 113.119
• InChiKey: OMFADAFZDYXVOK-UHFFFAOYSA-N

物化性质

• 沸点：
  235.3±23.0 °C(Predicted)
• 密度：
  1.206±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  64.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  9H-氧杂蒽-9-甲酰氯 、 3-amino-5-ethyl-1,2,4-oxadiazole 在 吡啶 作用下， 生成
  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：

  3-propanoylamino-4-phenylfurazan 在 氨 作用下， 以 甲醇 为溶剂， 反应 1.5h， 以80%的产率得到3-amino-5-ethyl-1,2,4-oxadiazole
  参考文献：
  名称：

  A Generalized and Efficient Synthesis of 3-Amino-, 3-(N-Alkylamino)-, 3-(N,N-Dialkylamino)-5-alkyl-1,2,4-oxadiazoles by Irradiation of 3-Alkanoylamino-4-phenyl-1,2,5-oxadiazoles (Furazans)

  摘要：

  在甲醇中，在氨的存在下，用波长为310纳米的紫外线照射3-烷基氨基-4-苯基-1,2,5-恶二唑（呋喃），可生成3-氨基、3-(N-烷基氨基)、3-(N,N-二烷基氨基)-5-烷基-1,2,4-恶二唑，产率极高。

  DOI：

  10.1055/s-1995-4031

文献信息

• 9H-Xanthene-9-carboxylic acid [1,2,4]oxadiazol-3-yl- and (2H-tetrazol-5-yl)-amides as potent, orally available mGlu1 receptor enhancers
  作者：Eric Vieira、Jörg Huwyler、Synèse Jolidon、Frédéric Knoflach、Vincent Mutel、Jürgen Wichmann

  DOI：10.1016/j.bmcl.2005.05.135

  日期：2005.10

  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.
• A Generalized and Efficient Synthesis of 3-Amino-, 3-(N-Alkylamino)-, 3-(N,N-Dialkylamino)-5-alkyl-1,2,4-oxadiazoles by Irradiation of 3-Alkanoylamino-4-phenyl-1,2,5-oxadiazoles (Furazans)
  作者：Silvestre Buscemi、Nicolò Vivona、Tullio Caronna

  DOI：10.1055/s-1995-4031

  日期：1995.8

  Irradiation of 3-alkanoylamino-4-phenyl-1,2,5-oxadiazoles (furazans) at λ=310 nm in methanol and in the presence of ammonia, primary or secondary aliphatic amines produced excellent yields of 3-amino-, 3-(N-alkylamino)-, 3-(N,N-dialkylamino)-5-alkyl-1,2,4-oxadiazoles.

  在甲醇中，在氨的存在下，用波长为310纳米的紫外线照射3-烷基氨基-4-苯基-1,2,5-恶二唑（呋喃），可生成3-氨基、3-(N-烷基氨基)、3-(N,N-二烷基氨基)-5-烷基-1,2,4-恶二唑，产率极高。