dimethyloctyl bromide | 119819-98-6

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机溴化物
• 英文名称: dimethyloctyl bromide
• 英文别名: 2-Bromo-2-methylnonane
• CAS: 119819-98-6
• 化学式: C₁₀H₂₁Br
• 分子量: 221.181
• InChiKey: QNMBBJQSVKGMPR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 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：

  dimethyloctyl bromide 在 magnesium 、 四氯化硅 、 copper(l) cyanide 作用下， 以 乙醚 为溶剂， 以3%的产率得到(1,1-dimethyloctyl)trichlorosilane
  参考文献：
  名称：

  硅烷醇基表面活性剂：一类创新的环保型清洁剂的合成途径和性质

  摘要：

  在此，探索了基于新型硅烷醇作为等电子膦酸酯的替代物的环保型表面活性剂。水溶液的表面张力显着降低，尤其是那些有机部分与硅烷醇比例高的硅烷醇。除了用作表面活性剂外，还以玻璃基材为例研究了它们作为亲水性氧化物表面涂料的潜力。在含硅烷醇的固态片状结构中，存在双层，其中片状间距随烷基链长而变化。

  DOI：

  10.1002/chem.201402857
• 作为产物：
  描述：

  2-壬酮 在 氢溴酸 、 lithium bromide 作用下， 以 乙醚 、 水 为溶剂， 反应 2.0h， 生成 dimethyloctyl bromide
  参考文献：
  名称：

  Structure–Odor Correlations in Homologous Series of Alkanethiols and Attempts To Predict Odor Thresholds by 3D-QSAR Studies

  摘要：

  Homologous series of alkane-1-thiols, alkane-2-thiols, alkane-3-thiols, 2-methylalkane-1-thiols, 2-methylalkane-3-thiols, 2-methylalkane-2-thiols, and alkane-1,?-dithiols were synthesized to study the influence of structural changes on odor qualities and odor thresholds. In particular, the odor thresholds were strongly influenced by steric effects: In all homologous series a minimum was observed for thiols with five to seven carbon atoms, whereas increasing the chain length led to an exponential increase in the odor threshold. Tertiary alkanethiols revealed clearly lower odor thresholds than found for primary or secondary thiols, whereas neither a second mercapto group in the molecule nor an additional methyl substitution lowered the threshold. To investigate the impact of the SH group, odor thresholds and odor qualities of thiols were compared to those of the corresponding alcohols and (methylthio)alkanes. Replacement of the SH group by an OH group as well as S-methylation of the thiols significantly increased the odor thresholds. By using comparative molecular field analysis, a 3D quantitative structureactivity relationship model was created, which was able to simulate the odor thresholds of alkanethiols in good agreement with the experimental results. NMR and mass spectrometric data for 46 sulfur-containing compounds are additionally supplied.

  DOI：

  10.1021/jf506135c

文献信息

• Photoinduced Hydroxylation of Organic Halides under Mild Conditions
  作者：Yue-Ming Cai、Yu-Ting Xu、Xin Zhang、Wen-Xia Gao、Xiao-Bo Huang、Yun-Bing Zhou、Miao-Chang Liu、Hua-Yue Wu

  DOI：10.1021/acs.orglett.9b03317

  日期：2019.10.18

  Presented in this paper is photoinduced hydroxylation of organic halides, providing a mild access to a range of functionalized phenols and aliphatic alcohols. These reactions generally proceed under mild reaction conditions with no need for a photocatalyst or a strong base and show a wide substrate scope as well as excellent functional group tolerance. This work highlights the unique role of NaI that

  本文介绍的是有机卤化物的光诱导羟基化作用，使人们可以轻而易举地接触到一系列官能化的酚和脂肪醇。这些反应通常在温和的反应条件下进行，不需要光催化剂或强碱，并且显示出较宽的底物范围以及优异的官能团耐受性。这项工作突显了NaI的独特作用，它可以在温和的反应条件下进行具有挑战性的转化。
• Nickel-Catalyzed Reductive Allylation of Tertiary Alkyl Halides with Allylic Carbonates
  作者：Haifeng Chen、Xiao Jia、Yingying Yu、Qun Qian、Hegui Gong

  DOI：10.1002/anie.201705521

  日期：2017.10.9

  of all C(sp3) quaternary centers has been successfully achieved under Ni‐catalyzed cross‐electrophile coupling of allylic carbonates with unactivated tertiary alkyl halides. For allylic carbonates bearing C1 or C3 substituents, the reaction affords excellent regioselectivity through the addition of alkyl groups to the unsubstituted allylic carbon terminus. The allylic alkylation method also exhibits

  在烯丙基碳酸酯与未活化叔烷基卤化物的镍催化交叉亲电子偶联下，已成功实现了所有C（sp 3）季铵盐中心的构建。对于带有C1或C3取代基的烯丙基碳酸酯，该反应通过向未取代的烯丙基碳末端加成烷基而提供了优异的区域选择性。烯丙基烷基化方法还具有出色的官能团相容性，并提供具有高E 选择性的产品。
• An extension of nickel-catalyzed reductive coupling between tertiary alkyl halides with allylic carbonates
  作者：Yingying Yu、Haifeng Chen、Qun Qian、Ken Yao、Hegui Gong

  DOI：10.1016/j.tet.2018.07.057

  日期：2018.9

  The nickel catalyzed reductive coupling of allylic carbonates with chloro-cyclotryptamine analogs to construct sterically congested all C(sp3) quaternary centers has been achieved with emphasis on the substrate scope. And the using of dienyl methyleneyl carbonates coupling with a variety of tertiary alkyl halides furnished the dienylated products improved the reaction's applicability.

  镍催化的烯丙基碳酸酯与氯-环色胺类似物的还原催化偶联，以建立空间上所有C（sp 3）四元中心的拥挤，并着重于底物范围。并且使用碳酸二烯基亚甲基酯与各种叔烷基卤化物偶合，提供了二烯基化产物，提高了反应的适用性。
• CARBAZOLE COMPOUNDS
  申请人：Brunner Klemens

  公开号：US20090242876A1

  公开（公告）日：2009-10-01

  The present invention relates to carbazole compounds of formula (I) and a semiconducting material comprising such carbazole compounds. It also relates to a process for the preparation of such carbazole compounds, as well as to the use thereof as a semiconducting material, in particular as a host matrix for phosphorescent emitters.

  本发明涉及式（I）的咔唑化合物以及包含此类咔唑化合物的半导体材料。它还涉及制备这种咔唑化合物的过程，以及将其用作半导体材料，特别是用作磷光发射剂的主基质的用途。
• US3956411A
  申请人：——

  公开号：US3956411A

  公开（公告）日：1976-05-11