2,12-Dibrom-tridecadien-(1,12) | 91954-39-1

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 乙烯基卤化物
• 英文名称: 2,12-Dibrom-tridecadien-(1,12)
• 英文别名: 2,12-dibromo-trideca-1,12-diene；2,12-Dibrom-trideca-1,12-dien；2,12-Dibromotrideca-1,12-diene；2,12-dibromotrideca-1,12-diene
• CAS: 91954-39-1
• 化学式: C₁₃H₂₂Br₂
• 分子量: 338.126
• InChiKey: UXXDBWAVHFFIQK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  15
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.69
• 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：

  2,12-Dibrom-tridecadien-(1,12) 在 氢氧化钾 作用下， 生成 十三碳-1,12-二炔
  参考文献：
  名称：

  Examination of subsequent reaction products enhanced through parahydrogen-induced nuclear polarization (PHIP)

  摘要：

  Homogeneous hydrogenation with parahydrogen yields strong nuclear spin polarization in the H-1 NMR spectra of the reaction products. This polarization can be transferred to subsequent reaction products and detected by in situ H-1 MMR spectroscopy. As a typical example, the hydrogenation of 1-phenylpropyne with parahydrogen generates the spin-polarized molecule 1-phenylpropene. Upon bromination of this product, its polarization is transferred to the reaction product 1,a-dibromo-l-phenylpropane. As a second example, polarization was observed in the addition product of DBr to spin-polarized dimethyl maleate which is generated from dimethyl acetylenedicarboxylate by addition of parahydrogen. Copyright (C) 2000 John Wiley & Sons, Ltd.

  DOI：

  10.1002/(sici)1097-458x(200003)38:3<216::aid-mrc635>3.0.co;2-b
• 作为产物：
  描述：

  2,3-二溴-1-丙烯 、 alkaline earth salt of/the/ methylsulfuric acid 在 乙醚 作用下， 生成 2,12-Dibrom-tridecadien-(1,12)
  参考文献：
  名称：

  Lespieau, Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1927, vol. 184, p. 460

  摘要：

  DOI：

文献信息

• Normant,H.; Noel,M., Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1961, vol. 253, p. 2237 - 2238
  作者：Normant,H.、Noel,M.

  DOI：——

  日期：——
• Examination of subsequent reaction products enhanced through parahydrogen-induced nuclear polarization (PHIP)
  作者：Andreas Koch、Joachim Bargon

  DOI：10.1002/(sici)1097-458x(200003)38:3<216::aid-mrc635>3.0.co;2-b

  日期：2000.3

  Homogeneous hydrogenation with parahydrogen yields strong nuclear spin polarization in the H-1 NMR spectra of the reaction products. This polarization can be transferred to subsequent reaction products and detected by in situ H-1 MMR spectroscopy. As a typical example, the hydrogenation of 1-phenylpropyne with parahydrogen generates the spin-polarized molecule 1-phenylpropene. Upon bromination of this product, its polarization is transferred to the reaction product 1,a-dibromo-l-phenylpropane. As a second example, polarization was observed in the addition product of DBr to spin-polarized dimethyl maleate which is generated from dimethyl acetylenedicarboxylate by addition of parahydrogen. Copyright (C) 2000 John Wiley & Sons, Ltd.
• Lespieau, Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1927, vol. 184, p. 460
  作者：Lespieau

  DOI：——

  日期：——