2-bromo-2-methylheptane | 77055-93-7

• 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: 2-bromo-2-methylheptane
• CAS: 77055-93-7
• 化学式: C₈H₁₇Br
• 分子量: 193.127
• InChiKey: BIDMXTWYLOAHBR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  9
• 可旋转键数：
  4
• 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：

  2-bromo-2-methylheptane 在 lithium aluminium tetrahydride 、 zinc sulfide 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 反应 14.0h， 生成 2-甲基庚烷-2-硫醇
  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
• 作为产物：
  描述：

  2-甲基-2-庚醇 在 氢溴酸 、 lithium bromide 作用下， 以 乙醚 、 水 为溶剂， 以61%的产率得到2-bromo-2-methylheptane
  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

文献信息

• Reaction of phenyl-substituted allyllithiums with tert-alkyl bromides. Remarkable difference in the alkylation regiochemistry between a polar process and the one involving single-electron transfer
  作者：Jiro Tanaka、Masatomo Nojima、Shigekazu Kusabayashi

  DOI：10.1021/ja00245a033

  日期：1987.5

  Un chemin reactionnel polaire favorise l'attaque au niveau du site phenyl substitue (C-1) tandis qu'un couplage au niveau de l'autre site (C-3) se produit de facon predominante dans le cas d'un mecanisme SET

  Un chemin reactnel polaire favourise l'attaque au niveau du site phenyl substitue (C-1) tandis qu'un couplage au niveau de l'autre site (C-3) se produit de facon predominante dans le cas d'un mecanisme SET
• Silanol-Based Surfactants: Synthetic Access and Properties of an Innovative Class of Environmentally Benign Detergents
  作者：Natascha Hurkes、Heike M. A. Ehmann、Martina List、Stefan Spirk、Malte Bussiek、Ferdinand Belaj、Rudolf Pietschnig

  DOI：10.1002/chem.201402857

  日期：2014.7.21

  Herein, environmentally friendly surfactants based on new silanols as substitutes for the isoelectronic phosphonates were explored. Surface tensions of aqueous solutions are significantly reduced, particularly with those silanols that feature a high ratio of organic moiety to silanol. Besides their use as surfactants, their potential as coating agents for hydrophilic oxide surfaces was investigated

  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。
• [EN] HALOALUMINOXANE COMPOSITIONS, THEIR PREPARATION, AND THEIR USE IN CATALYSIS<br/>[FR] COMPOSITIONS D'HALOALUMINOXANE, PREPARATION ET UTILISATION DE CELLES-CI DANS DES CATALYSES
  申请人：ALBEMARLE CORP

  公开号：WO2005066191A1

  公开（公告）日：2005-07-21

  Novel haloaluminoxane compositions have been formed. The halogen is fluorine, chlorine, and/or bromine, and the amount of halogen atoms present in said composition is in the range of about 0.5 mole % to about 15 mole % relative to aluminum atoms.

  已经形成了新的氧化铝卤代铝簇合物。卤素可以是氟、氯和/或溴，而该簇合物中存在的卤素原子的数量在相对于铝原子约0.5摩尔％至约15摩尔％的范围内。
• Haloaluminoxane compositions, their preparation, and their use in catalysis
  申请人：Sangokoya A. Samuel

  公开号：US20050143254A1

  公开（公告）日：2005-06-30

  Novel haloaluminoxane compositions have been formed. The halogen is fluorine, chlorine, and/or bromine, and the amount of halogen atoms present in said composition is in the range of about 0.5 mole % to about 15 mole % relative to aluminum atoms.

  新型卤铝氧烷组合物已经形成。卤素是氟、氯和/或溴，相对于铝原子，所述组合物中卤素原子的含量在约 0.5 摩尔%至约 15 摩尔%的范围内。
• Selective hydrobromination of branched alcohols using phase transfer catalysis
  作者：Gihad Dakka、Yoel Sasson

  DOI：10.1016/s0040-4039(00)95331-0

  日期：1987.1