S-p-toluenesulfonic acid-1-ethylheptyl ester | 65950-02-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: S-p-toluenesulfonic acid-1-ethylheptyl ester
• 英文别名: Nonan-3-yl 4-methylbenzenesulfonate
• CAS: 65950-02-9
• 化学式: C₁₆H₂₆O₃S
• 分子量: 298.447
• InChiKey: NWRVDYHTCBCSFQ-UHFFFAOYSA-N

物化性质

• 沸点：
  401.3±14.0 °C(Predicted)
• 密度：
  1.042±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  20
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  S-p-toluenesulfonic acid-1-ethylheptyl ester 在 potassium tert-butylate 、 叔丁醇 作用下， 生成 反式-3-壬烯
  参考文献：
  名称：

  Zavada, Jiri; Pankova, Magdalena, Collection of Czechoslovak Chemical Communications, 1980, vol. 45, # 8, p. 2171 - 2178

  摘要：

  DOI：
• 作为产物：
  描述：

  3-壬醇 在 对甲苯磺酰氯 作用下， 以 吡啶 为溶剂， 生成 S-p-toluenesulfonic acid-1-ethylheptyl ester
  参考文献：
  名称：

  Zavada,J.; Pankova,M., Collection of Czechoslovak Chemical Communications, 1977, vol. 42, p. 3421 - 3438

  摘要：

  DOI：

文献信息

• Easy and direct conversion of tosylates and mesylates into nitroalkanes
  作者：Alessandro Palmieri、Serena Gabrielli、Roberto Ballini

  DOI：10.3762/bjoc.9.58

  日期：——

  Tosylates and mesylates were directly converted into the corresponding nitroalkanes, by their treatment with tetrabutylammonium nitrite (TBAN) under mild conditions.

  对苯磺酸基和甲磺酸基直接通过与四丁基铵亚硝酸盐（TBAN）在温和条件下处理，转化为相应的硝基烷。
• Optically active liquid crystalline compound and a composition
  申请人：Chisso Corporation

  公开号：US05238603A1

  公开（公告）日：1993-08-24

  A liquid crystal compound having specific features suitable to use for a display mode utilizing ferroelectric liquid crystals, particularly a large spontaneous polarization value and a liquid crystal composition using the compound are provided, which compound is an optically active liquid crystalline compound of the formula ##STR1## wherein l and m each are 0 or 1; at least one of R.sup.1 and R.sup.2 is an optically active alkoxy group of the formula ##STR2## wherein R.sup.3 is 2 or 3C alkyl and R.sup.4 is 3-18C alkyl, but R.sup.3 .noteq.R.sup.4 and the other thereof is 1-20C alkyl, alkoxy or alkanoyloxy, halogen or cyano; and A is a specified two or three rings compound.

  提供一种具有特定特征的液晶化合物，适用于利用铁电液晶的显示模式，特别是具有大自发极化值的液晶组合物，所述化合物是具有下列结构的光学活性液晶化合物：其中l和m分别为0或1；R1和R2中至少有一个是下列结构的光学活性烷氧基：其中R3为2或3碳烷基，R4为3-18碳烷基，但R3 ≠ R4，另一个是1-20碳烷基、烷氧基、烷酰氧基、卤素或氰基；A是特定的两环或三环化合物。
• Optically active liquid crystalline compounds and compositions containing them
  申请人：CHISSO CORPORATION

  公开号：EP0312210A2

  公开（公告）日：1989-04-19

  Optically active liquid crystalline compounds have the formula in which ℓ and m are each 0 or 1; at least one of R¹ and R² is an optically active alkoxy group of the formula -OCH-R⁴ ( in which R³ is a C²-C₃ alkyl group and R⁴ is a C₃-C₁₈ alkyl group, provided that R³ is not the same as R⁴) and the other of R¹ and R² is a C₁-C₂₀ alkyl, C₁-C₂₀ alkoxy or C₁-C₂₀ alkanoyloxy group or a halogen atom or a cyano group; and A is a group: (in X, Y and Z are each independently a hydrogen or halogen atom or a cyano group).

  光学活性液晶化合物的化学式为 其中 ℓ 和 m 各为 0 或 1；R¹ 和 R² 中至少有一个是式 -OCH-R⁴ 的光学活性烷氧基（其中 R³ 是 C²-C₃ 烷基，R⁴ 是 C₃-C₁₈ 烷基、而 R¹ 和 R² 中的另一个是 C₁-C₂₀ 烷基、C₁-C₂₀ 烷氧基或 C₁-C₂₀ 烷酰氧基或卤原子或氰基；而 A 是一个基团： (X、Y 和 Z 各自独立地为氢原子、卤素原子或氰基）。
• Structure–Odor Correlations in Homologous Series of Alkanethiols and Attempts To Predict Odor Thresholds by 3D-QSAR Studies
  作者：Johannes Polster、Peter Schieberle

  DOI：10.1021/jf506135c

  日期：2015.2.11

  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.
• Pankova, Magdalena; Zavada, Jiri, Collection of Czechoslovak Chemical Communications, 1980, vol. 45, # 11, p. 3150 - 3159
  作者：Pankova, Magdalena、Zavada, Jiri

  DOI：——

  日期：——