[1-14C]methyl acrylate | 315660-15-2

• 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: [1-14C]methyl acrylate
• 英文别名: methyl acrylate-1-14C；methyl (114C)prop-2-enoate
• CAS: 315660-15-2
• 化学式: C₄H₆O₂
• 分子量: 88.0794
• InChiKey: BAPJBEWLBFYGME-DOMIDYPGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  6
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  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
• 作为产物：
  描述：

  重氮甲烷 、 [1-¹⁴C]acrylic acid 以 乙醚 为溶剂， 生成 [1-14C]methyl acrylate
  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.