methyl 4-methyl-4-nitropentanoate-1-14C

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: methyl 4-methyl-4-nitropentanoate-1-14C
• 英文别名: methyl 4-methyl-4-nitro(114C)pentanoate
• 化学式: C₇H₁₃NO₄
• 分子量: 177.174
• InChiKey: MROVMGGCWUQHMR-ZQBYOMGUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl 4-methyl-4-nitropentanoate-1-14C 在 二异丁基氢化铝 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以87%的产率得到4-methyl-4-nitropentanal-1-14C
  参考文献：
  名称：

  Synthesis of 5,5-dimethyl-1-pyrroline-N-oxide-2-14C

  摘要：

  5,5-Dimethyl-1-pyrroline-N-oxide-2-C-14 arrived via coupling of 2-nitropropane with labelled acrylate instead of acrolein. The new alternate step is safer, more convenient and efficient for C-14-labelling. The radioactive spin trap has a sp. activity of 13 mCi/mmol, >98% purity, and shows no degradation after two months at -80 degrees C in neat form.

  DOI：

  10.1002/1099-1344(20001015)43:11<1107::aid-jlcr396>3.0.co;2-o
• 作为产物：
  描述：

  2-硝基丙烷 、 [1-14C]methyl acrylate 在 potassium carbonate 作用下， 以 四氢呋喃 为溶剂， 以70%的产率得到methyl 4-methyl-4-nitropentanoate-1-14C
  参考文献：
  名称：

  Synthesis of 5,5-dimethyl-1-pyrroline-N-oxide-2-14C

  摘要：

  5,5-Dimethyl-1-pyrroline-N-oxide-2-C-14 arrived via coupling of 2-nitropropane with labelled acrylate instead of acrolein. The new alternate step is safer, more convenient and efficient for C-14-labelling. The radioactive spin trap has a sp. activity of 13 mCi/mmol, >98% purity, and shows no degradation after two months at -80 degrees C in neat form.

  DOI：

  10.1002/1099-1344(20001015)43:11<1107::aid-jlcr396>3.0.co;2-o

文献信息

• Synthesis of 5,5-dimethyl-1-pyrroline-N-oxide-2-14C
  作者：Diem Duy Le、Yinsheng Zhang、Danh Nguyen、Josef Moravek

  DOI：10.1002/1099-1344(20001015)43:11<1107::aid-jlcr396>3.0.co;2-o

  日期：2000.10.15

  5,5-Dimethyl-1-pyrroline-N-oxide-2-C-14 arrived via coupling of 2-nitropropane with labelled acrylate instead of acrolein. The new alternate step is safer, more convenient and efficient for C-14-labelling. The radioactive spin trap has a sp. activity of 13 mCi/mmol, >98% purity, and shows no degradation after two months at -80 degrees C in neat form.