<1,1-d2>-1-octadecene | 134457-66-2

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: <1,1-d2>-1-octadecene
• 英文别名: [1,1-d2]-1-octadecene
• CAS: 134457-66-2
• 化学式: C₁₈H₃₆
• 分子量: 254.468
• InChiKey: CCCMONHAUSKTEQ-DICFDUPASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.04
• 重原子数：
  18.0
• 可旋转键数：
  15.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 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：

  二甲基一氯硅烷 、 <1,1-d2>-1-octadecene 在 dihydrogen hexachloroplatinate 作用下， 以 乙醚 、 异丙醇 为溶剂， 反应 1.5h， 以19.7 g的产率得到<1,1-d2>dimethylloctadecylchlorosilane
  参考文献：
  名称：

  A study of the structure and dynamics of dimethyloctadecylsilyl-modified silica using wide-line 2H NMR techniques

  摘要：

  The structure and dynamics of dimethyloctadecylsilyl-modified silica gel (C18-silica) were studied by using solid-state H-2 NMR techniques. In order to reproduce with a theoretical model the H-2 line shapes that were observed for the C18-silica samples, it was necessary to assume that a variety of environments are present on the C18-silica surface and that this heterogeneity results in different details of the motion of silane groups that are bonded to different regions of the C18-silica surface. H-2 spectra that were taken on the C18-silica samples at temperatures below room temperature appear to be superpositions of two line shapes, indicating that some silane groups move with a simple two-site jump motion, along with others that move with a more complex distribution of motions. At -50-degrees-C, the addition of wetting liquids can affect the H-2 line shape; different liquids can have dramatically different effects on the observed H-2 line shapes. Simple surface structures for Cl8-silica are proposed that are consistent with the NMR data observed in this study.

  DOI：

  10.1021/ja00017a001
• 作为产物：
  描述：

  硬酯酸甲酯C18 在 lithium aluminium deuteride 作用下， 以 乙醚 为溶剂， 反应 1.25h， 生成 <1,1-d2>-1-octadecene
  参考文献：
  名称：

  A study of the structure and dynamics of dimethyloctadecylsilyl-modified silica using wide-line 2H NMR techniques

  摘要：

  The structure and dynamics of dimethyloctadecylsilyl-modified silica gel (C18-silica) were studied by using solid-state H-2 NMR techniques. In order to reproduce with a theoretical model the H-2 line shapes that were observed for the C18-silica samples, it was necessary to assume that a variety of environments are present on the C18-silica surface and that this heterogeneity results in different details of the motion of silane groups that are bonded to different regions of the C18-silica surface. H-2 spectra that were taken on the C18-silica samples at temperatures below room temperature appear to be superpositions of two line shapes, indicating that some silane groups move with a simple two-site jump motion, along with others that move with a more complex distribution of motions. At -50-degrees-C, the addition of wetting liquids can affect the H-2 line shape; different liquids can have dramatically different effects on the observed H-2 line shapes. Simple surface structures for Cl8-silica are proposed that are consistent with the NMR data observed in this study.

  DOI：

  10.1021/ja00017a001

文献信息

• Probing the Mechanism of Cyanobacterial Aldehyde Decarbonylase Using a Cyclopropyl Aldehyde
  作者：Bishwajit Paul、Debasis Das、Benjamin Ellington、E. Neil G. Marsh

  DOI：10.1021/ja3115949

  日期：2013.4.10

  Cyanobacterial aldehyde decarbonylase (cAD) is a non-heme diiron oxygenase that catalyzes the conversion of fatty aldehydes to alkanes and formate. The mechanism of this chemically unusual reaction is poorly understood. We have investigated the mechanism of C1-C2 bond cleavage by cAD using a fatty aldehyde that incorporates a cyclopropyl group, which can act as a radical clock. When reacted with cAD

  蓝细菌醛脱羰酶 (cAD) 是一种非血红素二铁加氧酶，可催化脂肪醛转化为烷烃和甲酸盐。这种化学异常反应的机制知之甚少。我们已经使用脂肪醛研究了 cAD 切割 C1-C2 键的机制，该脂肪醛包含一个环丙基，可以作为自由基时钟。当与 cAD 反应时，环丙醛产生 1-十八碳烯作为重排产物，为 CC 键断裂的自由基机制提供了证据。在另一种途径中，环丙醛通过烷基链与酶的共价结合，充当 cAD 的基于机制的不可逆抑制剂。