n-Octyl p-nitrobenzenesulfonate | 71841-81-1

• 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: n-Octyl p-nitrobenzenesulfonate
• 英文别名: Octyl 4-nitrobenzene-1-sulfonate；octyl 4-nitrobenzenesulfonate
• CAS: 71841-81-1
• 化学式: C₁₄H₂₁NO₅S
• 分子量: 315.39
• InChiKey: VYBRQQUWSYPLSC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  21
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  97.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  n-Octyl p-nitrobenzenesulfonate 在 lithium iodide 、 PEG₄₀₀Me₂ 作用下， 以 氯苯 为溶剂， 生成 1-碘辛烷
  参考文献：
  名称：

  Metal Ion Catalysis in Nucleophilic Substitution Reactions Promoted by Complexes of Polyether Ligands with Alkali Metal Salts

  摘要：

  Metal ion effects have been revealed on nucleophilic substitution reactions of n-octyl sulfonates 1-3 promoted by complexes of polyether ligands (PEGs, crown ethers, cryptands) with alkali metal salts MY (M = Li, Na, K; Y = I, Br) in low polarity solvents (chlorobenzene, o-dichlorobenzene, toluene) at 60 degrees C. Rate constants increase, in the order K+ < Na+

  DOI：

  10.1021/jo00123a036

文献信息

• Carbonylation of alkyl sulfonates catalyzed by cobalt complexes
  作者：Hisao Urata、Daisuke Goto、Takamasa Fuchikami

  DOI：10.1016/0040-4039(91)80697-5

  日期：1991.6

  Alkyl sulfonates (R1-OSO2R2) react with carbon monoxide and alcohol (R3-OH) in the presence of catalytic amounts of Co complex and Nal to afford the corresponding esters (R1-COOR3) in moderate to good yields.

  烷基磺酸盐（R 1 -OSO 2 R 2）在催化量的Co络合物和Nal的存在下与一氧化碳和醇（R 3 -OH ）反应，得到相应的酯（R 1 -COOR 3）。产量。
• Metal Ion Catalysis in Nucleophilic Substitution Reactions Promoted by Complexes of Polyether Ligands with Alkali Metal Salts
  作者：Alessandro Gobbi、Dario Landini、Angelamaria Maia、Daniela Secci

  DOI：10.1021/jo00123a036

  日期：1995.9

  Metal ion effects have been revealed on nucleophilic substitution reactions of n-octyl sulfonates 1-3 promoted by complexes of polyether ligands (PEGs, crown ethers, cryptands) with alkali metal salts MY (M = Li, Na, K; Y = I, Br) in low polarity solvents (chlorobenzene, o-dichlorobenzene, toluene) at 60 degrees C. Rate constants increase, in the order K+ < Na+