5-碘-5-甲基壬烷 | 115818-57-0

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机碘化物
• 中文名称: 5-碘-5-甲基壬烷
• 英文名称: 5-methyl-5-iodononane
• 英文别名: 5-Iodo-5-methylnonane
• CAS: 115818-57-0
• 化学式: C₁₀H₂₁I
• 分子量: 268.181
• InChiKey: CVZSHQGDEFHUQV-UHFFFAOYSA-N

物化性质

• 沸点：
  243.0±8.0 °C(Predicted)
• 密度：
  1.262±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 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：

  5-碘-5-甲基壬烷 、 二乙胺 、 alkaline earth salt of/the/ methylsulfuric acid 在 (1-t-Bu-3-Me-2,3-dihydro-1H-imidazole)[2-PdCl₂(PPh₃)] 作用下， 以 various solvent(s) 为溶剂， 反应 16.0h， 以22%的产率得到N,N-diethyl-2-butyl-2-methylhexanamide
  参考文献：
  名称：

  Atom transfer carbonylation using ionic liquids as reaction media

  摘要：

  Photo-induced ATC reactions of RI, CO, and amines to produce amides, were examined using ionic liquids, such as [bmim]PF6 and [bmim]NTf2, as reaction media in the presence of a catalytic amount of a Pd-carbene complex. When the primary alkyl iodide was used, the yield of the amide was lowered due to competing S(N)2 reactions between RI and amines, whereas the reaction of the tertiary alkyl iodides was dependent on the structure of the substrates. ATC reactions of a wide variety of secondary RI proceeded smoothly when ionic liquids were used as reaction media. The Pd-catalyst and ionic liquid could also be recycled. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2006.08.072
• 作为产物：
  描述：

  5-甲基-5-壬醇 在 magnesium iodide 作用下， 以 正戊烷 为溶剂， 反应 72.0h， 以62%的产率得到5-碘-5-甲基壬烷
  参考文献：
  名称：

  Eine einfache methode zur darstellungtertiäreriodide

  摘要：

  受阻的烷基碘可通过在正戊烷中用碘化镁处理相应的醇方便地制备。

  DOI：

  10.1016/s0040-4039(00)96882-5

文献信息

• GARCIA, MARTINEZ A.;MARTINEZ, ALVAREZ R.;TESO, VILAR E.;GARCIA, FRAILE A.+, TETRAHEDRON LETT., 28,(1987) N 51, 6441-6442
  作者：GARCIA, MARTINEZ A.、MARTINEZ, ALVAREZ R.、TESO, VILAR E.、GARCIA, FRAILE A.+

  DOI：——

  日期：——
• Eine einfache methode zur darstellung tertiärer iodide
  作者：A.García Martínez、R.Martínez Alvarez、E.Teso Vilar、A.García Fraile、J.Osío Barcina、M. Hanack、L.R. Subramanian

  DOI：10.1016/s0040-4039(00)96882-5

  日期：1987.1

  Hindered alkyl iodides may be prepared conveniently by treatment of the corresponding alcohols with magnesium iodide in n-pentane.

  受阻的烷基碘可通过在正戊烷中用碘化镁处理相应的醇方便地制备。
• Atom transfer carbonylation using ionic liquids as reaction media
  作者：Takahide Fukuyama、Takaya Inouye、Ilhyong Ryu

  DOI：10.1016/j.jorganchem.2006.08.072

  日期：2007.1

  Photo-induced ATC reactions of RI, CO, and amines to produce amides, were examined using ionic liquids, such as [bmim]PF6 and [bmim]NTf2, as reaction media in the presence of a catalytic amount of a Pd-carbene complex. When the primary alkyl iodide was used, the yield of the amide was lowered due to competing S(N)2 reactions between RI and amines, whereas the reaction of the tertiary alkyl iodides was dependent on the structure of the substrates. ATC reactions of a wide variety of secondary RI proceeded smoothly when ionic liquids were used as reaction media. The Pd-catalyst and ionic liquid could also be recycled. (c) 2006 Elsevier B.V. All rights reserved.