[C-³H]methanol | 20515-96-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [C-³H]methanol
• 英文别名: 3H-CH2OH；Tritiomethanol
• CAS: 20515-96-2
• 化学式: CH₄O
• 分子量: 34.0342
• InChiKey: OKKJLVBELUTLKV-CNRUNOGKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  2
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  双乙烯酮 、 [C-³H]methanol 在 三乙胺 作用下， 反应 5.0h， 生成 methyl-[3H]-acetoacetate
  参考文献：
  名称：

  Synthesis of [5-methyl-3H]-nitrendipine

  摘要：

  Synthesis of [5-methyl-H-3]-nitrendipine by means of a new method was described. Methyl-[H-3]methanol was reacted with diketene forming methyl-[H-3]acetoacetate, followed by treatment with ammonia to give [methyl-H-3]-3-aminoacrotonate, which was reacted with methyl 2-[(3-nitrophenyl)-3-methylene]-3-oxobutanoate to synthesize [5-methyl-H-3]-nitrendipine. Its specific activity and radiochemical purify were 23 Ci/mmol and >98%, respectively.

  DOI：

  10.1002/(sici)1099-1344(199702)39:2<105::aid-jlcr950>3.0.co;2-q
• 作为产物：
  描述：

  甲醇 在 硫化氢 作用下， 生成 [C-³H]methanol
  参考文献：
  名称：

  Wawer; Szydlowski, Polish Journal of Chemistry, 2002, vol. 76, # 1, p. 117 - 121

  摘要：

  DOI：

文献信息

• WO2008/140592
  申请人：——

  公开号：——

  公开（公告）日：——
• Akinaga; Kobayashi; Kobayashi, Arzneimittel-Forschung/Drug Research, 1988, vol. 38, # 11 A, p. 1738 - 1741
  作者：Akinaga、Kobayashi、Kobayashi、Inoue、Nakamizo、Oka

  DOI：——

  日期：——
• Wawer; Szydlowski, Polish Journal of Chemistry, 2002, vol. 76, # 1, p. 117 - 121
  作者：Wawer、Szydlowski

  DOI：——

  日期：——
• Synthesis of [5-methyl-3H]-nitrendipine
  作者：Dezhu Wu、Wen Wang

  DOI：10.1002/(sici)1099-1344(199702)39:2<105::aid-jlcr950>3.0.co;2-q

  日期：1997.2

  Synthesis of [5-methyl-H-3]-nitrendipine by means of a new method was described. Methyl-[H-3]methanol was reacted with diketene forming methyl-[H-3]acetoacetate, followed by treatment with ammonia to give [methyl-H-3]-3-aminoacrotonate, which was reacted with methyl 2-[(3-nitrophenyl)-3-methylene]-3-oxobutanoate to synthesize [5-methyl-H-3]-nitrendipine. Its specific activity and radiochemical purify were 23 Ci/mmol and >98%, respectively.