3-Methyl-4-furoxancarbonsaeureamid | 37895-44-6

• 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: 3-Methyl-4-furoxancarbonsaeureamid
• 英文别名: 3-Methyl-4-furoxancarboxamid；4-methyl-5-oxy-furazan-3-carboxylic acid amide；3-methyl-1,2,5-oxadiazole-2-oxide-4-carboxylic acid amide；Furazancarboxamide, 4-methyl-, 5-oxide；4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-carboxamide
• CAS: 37895-44-6
• 化学式: C₄H₅N₃O₃
• mdl: MFCD00463954
• 分子量: 143.102
• InChiKey: DKBVMDZYMTWNCN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  94.6
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  3-Methyl-4-furoxancarbonsaeureamid 在 吡啶 、 三氟乙酸酐 作用下， 以 二氯甲烷 为溶剂， 以97%的产率得到4-methyl-1,2,5-oxadiazole-3-carbonitrile 5-oxide
  参考文献：
  名称：

  An efficient access to (1H-tetrazol-5-yl)furoxan ammonium salts via a two-step dehydration/[3+2]-cycloaddition strategy

  摘要：

  A general, highly effective two-step approach for direct synthesis of (1H-tetrazol-5-yl)furoxan ammonium salts with various functional substituents based on initial effective synthesis of cyanofuroxans by dehydration of furoxancarboxylic acid amides by the action of (CF3CO)(2)O/Py followed by [3+2]-cycloaddition of cyanofuroxans to ammonium azide, generated in situ from TMSN3 and NH4F, has been developed. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2015.07.034
• 作为产物：
  描述：

  4-ethoxycarbonyl-3-methylfuroxan 在 ammonium hydroxide 作用下， 生成 3-Methyl-4-furoxancarbonsaeureamid
  参考文献：
  名称：

  Gasco,A. et al., Journal of Heterocyclic Chemistry, 1972, vol. 9, p. 577 - 580

  摘要：

  DOI：

文献信息

• An efficient access to (1H-tetrazol-5-yl)furoxan ammonium salts via a two-step dehydration/[3+2]-cycloaddition strategy
  作者：Leonid L. Fershtat、Margarita A. Epishina、Alexander S. Kulikov、Igor V. Ovchinnikov、Ivan V. Ananyev、Nina N. Makhova

  DOI：10.1016/j.tet.2015.07.034

  日期：2015.9

  A general, highly effective two-step approach for direct synthesis of (1H-tetrazol-5-yl)furoxan ammonium salts with various functional substituents based on initial effective synthesis of cyanofuroxans by dehydration of furoxancarboxylic acid amides by the action of (CF3CO)(2)O/Py followed by [3+2]-cycloaddition of cyanofuroxans to ammonium azide, generated in situ from TMSN3 and NH4F, has been developed. (C) 2015 Elsevier Ltd. All rights reserved.
• Gasco,A. et al., Journal of Heterocyclic Chemistry, 1972, vol. 9, p. 577 - 580
  作者：Gasco,A. et al.

  DOI：——

  日期：——