2-methyl-2-(methylthio)heptane

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-methyl-2-(methylthio)heptane
• 英文别名: 2-Methyl-2-methylsulfanylheptane；2-methyl-2-methylsulfanylheptane
• 化学式: C₉H₂₀S
• 分子量: 160.324
• InChiKey: WFDSHRVJGQEZKR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  25.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  2-甲基-2-庚醇 在 lithium aluminium tetrahydride 、 正丁基锂 、 氢溴酸 、 zinc sulfide 、 lithium bromide 作用下， 以 四氢呋喃 、 乙醚 、 正己烷 、 二氯甲烷 、 水 为溶剂， 反应 14.5h， 生成 2-methyl-2-(methylthio)heptane
  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

• COPOLYMERS MADE WITH QUASI-LIVING POLYOLEFINS AND UNSATURATED ACIDIC REAGENTS, DISPERSANTS USING SAME, AND METHODS OF MAKING SAME
  申请人：Chevron Oronite Company LLC

  公开号：EP2279217A1

  公开（公告）日：2011-02-02
• PRODUCTION OF VINYLIDENE-TERMINATED POLYOLEFINS VIA QUENCHING WITH MONOSULFIDES
  申请人：Chevron Oronite Company LLC

  公开号：EP2279214A1

  公开（公告）日：2011-02-02
• Production of Vinylidene-Terminated Polyolefins Via Quenching with Monosulfides
  申请人：Stokes Casey D.

  公开号：US20090247716A1

  公开（公告）日：2009-10-01

  Provided herein are methods for a vinylidene terminated polyolefin comprising: a. ionizing a polyolefin in the presence of a Lewis acid to form an ionized polyolefin; b. reacting the ionized polyolefin from step (a) with one or more dihydrocarbylmonosulfides; and c. reacting the product of step (b) with one or more proton acceptor compounds. In some embodiments, the dihydrocarbylmonosulfide has the formula: R 1 —S—R 2 wherein R 1 and R 2 are each, independently, hydrocarbyl.
• US8394897B2
  申请人：——

  公开号：US8394897B2

  公开（公告）日：2013-03-12
• [EN] PRODUCTION OF VINYLIDENE-TERMINATED POLYOLEFINS VIA QUENCHING WITH MONOSULFIDES<br/>[FR] PRODUCTION DE POLYOLÉFINES À TERMINAISON VINYLIDÈNE PAR DÉSACTIVATION PAR DES MONOSULFURES
  申请人：CHEVRON ORONITE CO

  公开号：WO2009120551A1

  公开（公告）日：2009-10-01

  Provided herein are methods for a vinylidene terminated polyolefin comprising: a. ionizing a polyolefin in the presence of a Lewis acid to form an ionized polyolefin; b. reacting the ionized polyolefin from step (a) with one or more dihydrocarbylmonosulfides; and c. reacting the product of step (b) with one or more proton acceptor compounds. In some embodiments, the dihydrocarbylmonosulfide has the formula: R1−S−R2 wherein R1 and R2 are each, independently, hydrocarbyl.