8-methoxy-3-(methoxycarbonyl)-10-oxo-2-azaspiro[4,5]deca-2,6,8-trien 2-oxide | 950487-29-3

• 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: 8-methoxy-3-(methoxycarbonyl)-10-oxo-2-azaspiro[4,5]deca-2,6,8-trien 2-oxide
• 英文别名: Methyl 8-methoxy-2-oxido-6-oxo-1-oxa-2-azoniaspiro[4.5]deca-2,7,9-triene-3-carboxylate
• CAS: 950487-29-3
• 化学式: C₁₁H₁₁NO₆
• 分子量: 253.211
• InChiKey: YJZDMWMWQQAEGM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  90.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  8-methoxy-3-(methoxycarbonyl)-10-oxo-2-azaspiro[4,5]deca-2,6,8-trien 2-oxide 在 三甲氧基磷 作用下， 以95%的产率得到methyl 8-methoxy-6-oxo-1-oxa-2-azaspiro<4.5>deca-2,7,9-triene-3-carboxylate
  参考文献：
  名称：

  Synthesis of Resorcinol Derived Spironitronates

  摘要：

  Syntheses of several unique spironitronates are reported. The key transformation involves the first known example of an ipso oxidative cyclization of nitro functionality. Oxidation proceeds from both o- and p-phenols. Reductions of these compounds provide novel spiroisoxazoline derivatives.

  DOI：

  10.1021/ol0710257
• 作为产物：
  描述：

  2-羟基-4-甲氧基苯甲醛 在 dimethyl sulfide borane 、 sodium hydride 、 [双(三氟乙酰氧基)碘]苯 、 sodium t-butanolate 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 8-methoxy-3-(methoxycarbonyl)-10-oxo-2-azaspiro[4,5]deca-2,6,8-trien 2-oxide
  参考文献：
  名称：

  Synthesis of Resorcinol Derived Spironitronates

  摘要：

  Syntheses of several unique spironitronates are reported. The key transformation involves the first known example of an ipso oxidative cyclization of nitro functionality. Oxidation proceeds from both o- and p-phenols. Reductions of these compounds provide novel spiroisoxazoline derivatives.

  DOI：

  10.1021/ol0710257

文献信息

• Synthesis of Resorcinol Derived Spironitronates
  作者：Maurice A. Marsini、Yaodong Huang、Ryan W. Van De Water、Thomas R. R. Pettus

  DOI：10.1021/ol0710257

  日期：2007.8.1

  Syntheses of several unique spironitronates are reported. The key transformation involves the first known example of an ipso oxidative cyclization of nitro functionality. Oxidation proceeds from both o- and p-phenols. Reductions of these compounds provide novel spiroisoxazoline derivatives.