[14C6]-iodobenzene | 82460-32-0

• 分子结构分类: 有机化合物
• 英文名称: [14C6]-iodobenzene
• 英文别名: iodo-[¹⁴C]benzene；Iodbenzol-C-14；Iodobenzene,[14c(u)]；iodo(1,2,3,4,5,6-14C6)cyclohexatriene
• CAS: 82460-32-0
• 化学式: C₆H₅I
• 分子量: 215.944
• InChiKey: SNHMUERNLJLMHN-YROCTSJKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  [14C6]-iodobenzene 、 sodium 2,2,2-trifluoroacetate 在 copper(l) iodide 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 5.0h， 生成 trifluoromethyl-[14C6]-benzene
  参考文献：
  名称：

  Synthesis of [trifluoromethyl‐[ ¹⁴ C ₆ ]‐phenyl]‐SR 57746A

  摘要：

  [Trifluoromethyl-L[C-14(6)]-phenyl]- SR 57746A 4, a neurotrophic and neuroprotective compound, has been synthesized for metabolic and pharmacokinetic studies. The key step for its synthesis was the preparation of 3-trifluoromethyl-[C-14(6)]-bromobenzene 1. This compound was obtained in 4 steps from [C-14(6)]-nitrobenzene 10 via [C-14(6)]-3-iodo-nitrobenzene 11, 3-trifluoromethyl-[C-14(6)]-nitrobenzene 8, 3-trifluoromethyl-[C-14(6)]-aniline 9. The overall yield for the 4 steps was 35%, the specific activity was 29 mCi/mmol and the radioactive purity was better than 98%. The Grignard reagent of 1 gave the title compound after condensation with N-(2-naphthylethyl)-4-piperidone 12 and dehydration.

  DOI：

  10.1002/(sici)1099-1344(199902)42:2<109::aid-jlcr172>3.0.co;2-#
• 作为产物：
  描述：

  [U-¹⁴C₆]benzene 在 碘 、 硝酸 作用下， 反应 2.0h， 以60%的产率得到[14C6]-iodobenzene
  参考文献：
  名称：

  Synthesis of [trifluoromethyl‐[ ¹⁴ C ₆ ]‐phenyl]‐SR 57746A

  摘要：

  [Trifluoromethyl-L[C-14(6)]-phenyl]- SR 57746A 4, a neurotrophic and neuroprotective compound, has been synthesized for metabolic and pharmacokinetic studies. The key step for its synthesis was the preparation of 3-trifluoromethyl-[C-14(6)]-bromobenzene 1. This compound was obtained in 4 steps from [C-14(6)]-nitrobenzene 10 via [C-14(6)]-3-iodo-nitrobenzene 11, 3-trifluoromethyl-[C-14(6)]-nitrobenzene 8, 3-trifluoromethyl-[C-14(6)]-aniline 9. The overall yield for the 4 steps was 35%, the specific activity was 29 mCi/mmol and the radioactive purity was better than 98%. The Grignard reagent of 1 gave the title compound after condensation with N-(2-naphthylethyl)-4-piperidone 12 and dehydration.

  DOI：

  10.1002/(sici)1099-1344(199902)42:2<109::aid-jlcr172>3.0.co;2-#