1,1-(dimethyl-d6)-2-methylcyclopropane | 72195-38-1

• 分子结构分类: 有机化合物 - 碳氢化合物 - 饱和烃
• 英文名称: 1,1-(dimethyl-d6)-2-methylcyclopropane
• 英文别名: 1,1-Dimethyl-d3-2-methylcyclopropan；1,1-bis(trideuteriomethyl)-2-methylcyclopropane；2-methyl-1,1-bis(trideuteriomethyl)cyclopropane
• CAS: 72195-38-1
• 化学式: C₆H₁₂
• 分子量: 90.1136
• InChiKey: BXIIJPAVISPOGI-XERRXZQWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.05
• 重原子数：
  6.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  Zeise's dimer 、 1,1-(dimethyl-d6)-2-methylcyclopropane 以 乙醚 为溶剂， 以28%的产率得到[PtCl2(1,1-bis(trideuteriomethyl)-2-methylcyclopropane)]4
  参考文献：
  名称：

  Thermal reactions of platinacyclobutanes: olefin and pyridinium ylide formation

  摘要：

  DOI：

  10.1021/ic50222a025
• 作为产物：
  描述：

  在 diethylzinc 作用下， 以 甲苯 为溶剂， 生成 1,1-(dimethyl-d6)-2-methylcyclopropane
  参考文献：
  名称：

  Cyclopropane intermediates in the rearrangement and fragmentation of olefinic molecular ions

  摘要：

  AbstractMethyl loss from deuterium‐labelled molecular ions of 4‐methyl‐2‐pentene, 2‐methyl‐2‐pentene and 1,1,2‐trimethylcyclopropane has been investigated for metastable molecular ions and for molecular ions formed by charge exchange with COS+˙, XE+˙ and CO+˙. For metastable ion fragmentation reactions all three compounds exhibit very similar behavior and show specific and essentially equal loss of each of the original methyl groups as well as specific loss of a methyl where the hydrogens derive exclusively from the non‐methyl hydrogens of the original molecules. The former results are interpreted in terms of interconversion of the three molecular ions through a ring‐opened form of the trimethylcyclopropane molecular ion. The loss of the non‐methyl hydrogens as CH3 is interpreted in terms of isomerization to the 2,3‐dimethyl‐2‐butene structure. With increasing internal energy direct allylic cleavage of the unrearranged methylpentene molecular ions increases in importance while the trimethylcyclopropane molecular ion shows an increased preference for loss of the C(2) methyl group. With increasing internal energy loss of the original non‐methyl hydrogens as CH3 decreases markedly in importance.

  DOI：

  10.1002/oms.1210201007

文献信息

• JOHNSON T. H.; CHENG SHENG-SAN., J. AMER. CHEM. SOC., 1979, 101, NO 18, 5277-5280
  作者：JOHNSON T. H.、 CHENG SHENG-SAN.

  DOI：——

  日期：——