2-octyl p-toluenesulfonate | 85293-37-4

• 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: 2-octyl p-toluenesulfonate
• 英文别名: Octyl 2-methylbenzene-1-sulfonate；octyl 2-methylbenzenesulfonate
• CAS: 85293-37-4
• 化学式: C₁₅H₂₄O₃S
• 分子量: 284.42
• InChiKey: VCWUPYSGDXTXDQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  19
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 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：

  2-octyl p-toluenesulfonate 在 potassium fluoride 作用下， 以 PEG 400 为溶剂， 生成 2-氟辛烷
  参考文献：
  名称：

  Process for the preparaiton of alkyl fluorides

  摘要：

  通过用氟原子取代脂肪族羟基来制备烷基氟化物。该反应是通过在聚乙二醇中处理脂肪族羟基的磺酰衍生物与无机氟化物进行的。

  公开号：

  US04879068A1

文献信息

• Process for the preparaiton of alkyl fluorides
  申请人：——

  公开号：US04879068A1

  公开（公告）日：1989-11-07

  Preparation of alkyl fluoride by replacement of an aliphatic hydroxy group with fluorine. The reaction is performed by treating a sulfonyl derivative of an aliphatic hydroxy group with an inorganic fluoride in a polyglycol.

  通过用氟原子取代脂肪族羟基来制备烷基氟化物。该反应是通过在聚乙二醇中处理脂肪族羟基的磺酰衍生物与无机氟化物进行的。
• Quarternary Ammonium Compound, Process for Producing the Same, Therapeutic Agent for Cerebrovascular Disorder, and Therapeutic Agent for Heart Disease
  申请人：Takagaki Hidetsugu

  公开号：US20080269345A1

  公开（公告）日：2008-10-30

  A quaternary ammonium compound of the present invention is a quaternary ammonium compound represented by general formula (I) or (I′) (wherein, A represents a linear alkyl group having 1 to 4 carbon atoms, a branched alkyl group having 2 to 4 carbon atoms, a linear alkyl group having 1 to 4 carbon atoms and a hydroxyl group, or a branched alkyl group having 2 to 4 carbon atoms and a hydroxyl group, R 1 to R 3 may be the same or different and represent a linear or branched alkyl group having 1 to 12 carbon atoms, one of R 4 to R 8 represents CO 2 − or SO 3 − , while no more than three of the remaining R 4 to R 8 represent a group selected from the group consisting of a hydroxyl group and an alkoxy group having 1 to 4 carbon atoms, and other R 4 to R 8 represent a hydrogen atom, one of R′ 4 to R′ 8 represents CO 2 H or SO 3 H, no more than three of the remaining R′ 4 to R′ 8 represent a group selected from a protected hydroxyl group and an alkoxy group having 1 to 4 carbon atoms, while other R′ 4 to R′ 8 represent a hydrogen atom, and X − represents an anion capable of forming a salt with a quaternary ammonium group).

  本发明的季铵化合物是由通式（I）或（I'）表示的季铵化合物（其中，A表示具有1至4个碳原子的直链烷基，具有2至4个碳原子的支链烷基，具有1至4个碳原子和一个羟基的直链烷基，或具有2至4个碳原子和一个羟基的支链烷基；R1至R3可以相同或不同，表示具有1至12个碳原子的直链或支链烷基，R4至R8中的一个表示CO2−或SO3−，而其余不超过三个表示从羟基和具有1至4个碳原子的烷氧基组成的群中选择的一种基团，其余的R4至R8表示氢原子；R'4至R'8中的一个表示CO2H或SO3H，而其余不超过三个表示选自受保护的羟基和具有1至4个碳原子的烷氧基的基团，其余的R'4至R'8表示氢原子；X−表示能够与季铵基形成盐的阴离子）。
• QUATERNARY AMMONIUM COMPOUND, PROCESS FOR PRODUCING THE SAME, THERAPEUTIC AGENT FOR CEREBROVASCULAR DISORDER, AND THERAPEUTIC AGENT FOR HEART DISEASE
  申请人：Dainippon Ink and Chemicals, Incorporated

  公开号：EP1736464A1

  公开（公告）日：2006-12-27

  A quaternary ammonium compound of the present invention is a quaternary ammonium compound represented by general formula (I) or (I') (wherein, A represents a linear alkyl group having 1 to 4 carbon atoms, a branched alkyl group having 2 to 4 carbon atoms, a linear alkyl group having 1 to 4 carbon atoms and a hydroxyl group, or a branched alkyl group having 2 to 4 carbon atoms and a hydroxyl group, R1 to R3 may be the same or different and represent a linear or branched alkyl group having 1 to 12 carbon atoms, one of R4 to R8 represents CO2- or SO3-, while no more than three of the remaining R4 to R8 represent a group selected from the group consisting of a hydroxyl group and an alkoxy group having 1 to 4 carbon atoms, and other R4 to R8 represent a hydrogen atom, one of R'4 to R'8 represents CO2H or SO3H, no more than three of the remaining R'4 to R'8 represent a group selected from a protected hydroxyl group and an alkoxy group having 1 to 4 carbon atoms, while other R'4 to R'8 represent a hydrogen atom, and X- represents an anion capable of forming a salt with a quaternary ammonium group).

  本发明的季铵盐化合物是由通式（I）或（I'）表示的季铵盐化合物 (其中，A 代表具有 1 至 4 个碳原子的直链烷基、具有 2 至 4 个碳原子的支链烷基、具有 1 至 4 个碳原子和羟基的直链烷基或具有 2 至 4 个碳原子和羟基的支链烷基，R1 至 R3 可以相同或不同，并代表具有 1 至 12 个碳原子的直链或支链烷基，R4 至 R8 中的一个代表 CO2- 或 SO3-、其余 R4 至 R8 中不超过三个代表选自具有 1 至 4 个碳原子的羟基和烷氧基的基团，其他 R4 至 R8 代表氢原子，R'4 至 R'8 中的一个代表 CO2H 或 SO3H、其余 R'4 至 R'8 中不超过三个代表选自受保护羟基和具有 1 至 4 个碳原子的烷氧基的基团，而其它 R'4 至 R'8 代表氢原子，以及 X- 代表能与季铵基团形成盐的阴离子）。
• US4879068A
  申请人：——

  公开号：US4879068A

  公开（公告）日：1989-11-07
• US7687546B2
  申请人：——

  公开号：US7687546B2

  公开（公告）日：2010-03-30