[12-(Toluene-4-sulfonyloxymethyl)-2,5,8,11,14,17,20,23-octaoxa-bicyclo[22.3.1]octacosa-1(27),24(28),25-trien-28-yloxy]-acetic acid tert-butyl ester | 137743-89-6

• 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: [12-(Toluene-4-sulfonyloxymethyl)-2,5,8,11,14,17,20,23-octaoxa-bicyclo[22.3.1]octacosa-1(27),24(28),25-trien-28-yloxy]-acetic acid tert-butyl ester
• 英文别名: tert-butyl 2-[[12-[(4-methylphenyl)sulfonyloxymethyl]-2,5,8,11,14,17,20,23-octaoxabicyclo[22.3.1]octacosa-1(27),24(28),25-trien-28-yl]oxy]acetate
• CAS: 137743-89-6
• 化学式: C₃₄H₅₀O₁₄S
• 分子量: 714.829
• InChiKey: ROTAZZHAXJMAEJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.36
• 重原子数：
  49.0
• 可旋转键数：
  7.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  152.74
• 氢给体数：
  0.0
• 氢受体数：
  14.0

反应信息

• 作为反应物：
  描述：

  [12-(Toluene-4-sulfonyloxymethyl)-2,5,8,11,14,17,20,23-octaoxa-bicyclo[22.3.1]octacosa-1(27),24(28),25-trien-28-yloxy]-acetic acid tert-butyl ester 在 盐酸 、 sodium hydroxide 、 sodium hydride 作用下， 反应 1.0h， 生成 {12-[4-Decyl-2-(ethoxy-hydroxy-phosphoryl)-phenoxymethyl]-2,5,8,11,14,17,20,23-octaoxa-bicyclo[22.3.1]octacosa-1(27),24(28),25-trien-28-yloxy}-acetic acid
  参考文献：
  名称：

  A lipophilic lariat ether with different intraannular and pendent acidic functions: synthesis and metal ion extraction

  摘要：

  A novel resorcinol-based, 25-crown-8 compound with an intraannular oxyacetic acid group and a pendent, lipophilic phosphonic acid monoethyl ester function has been synthesized. Competitive solvent extractions of alkali-metal, alkaline-earth, and mixed alkali-metal and alkaline-earth cations from aqueous solutions into chloroform by this lipophilic lariat ether with two different proton-ionizable groups were investigated. The lipophilic diionizable lariat ether exhibits markedly different efficiencies in the extraction of alkali-metal cations and of alkaline-earth cations from basic aqueous solutions.

  DOI：

  10.1021/jo00028a058
• 作为产物：
  描述：

  12-Benzyloxymethyl-2,5,8,11,14,17,20,23-octaoxa-bicyclo[22.3.1]octacosa-1(27),24(28),25-trien-28-ol 在 palladium on activated charcoal 吡啶 、 氢气 、 potassium carbonate 作用下， 以 乙醇 、 丙酮 为溶剂， 4.0~25.0 ℃ 、344.73 kPa 条件下， 反应 96.0h， 生成 [12-(Toluene-4-sulfonyloxymethyl)-2,5,8,11,14,17,20,23-octaoxa-bicyclo[22.3.1]octacosa-1(27),24(28),25-trien-28-yloxy]-acetic acid tert-butyl ester
  参考文献：
  名称：

  A lipophilic lariat ether with different intraannular and pendent acidic functions: synthesis and metal ion extraction

  摘要：

  A novel resorcinol-based, 25-crown-8 compound with an intraannular oxyacetic acid group and a pendent, lipophilic phosphonic acid monoethyl ester function has been synthesized. Competitive solvent extractions of alkali-metal, alkaline-earth, and mixed alkali-metal and alkaline-earth cations from aqueous solutions into chloroform by this lipophilic lariat ether with two different proton-ionizable groups were investigated. The lipophilic diionizable lariat ether exhibits markedly different efficiencies in the extraction of alkali-metal cations and of alkaline-earth cations from basic aqueous solutions.

  DOI：

  10.1021/jo00028a058