1,7-Bis(2-aminophenyl)-4-thia-1,7-dioxaheptane | 126516-73-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1,7-Bis(2-aminophenyl)-4-thia-1,7-dioxaheptane
• 英文别名: 1,5-bis(o-aminophenoxy)-3-thiapentane；1,5-bis(o-aminophenoxy)-3-thiopentane；2-[2-[2-(2-aminophenoxy)ethylsulfanyl]ethoxy]aniline
• CAS: 126516-73-2
• 化学式: C₁₆H₂₀N₂O₂S
• 分子量: 304.413
• InChiKey: JDIBNBBIHUXRMC-UHFFFAOYSA-N

物化性质

• 熔点：
  87 °C
• 沸点：
  522.2±45.0 °C(Predicted)
• 密度：
  1.218±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  21
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  95.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1,7-Bis(2-aminophenyl)-4-thia-1,7-dioxaheptane 在 sodium tetrahydroborate 作用下， 以 四氢呋喃 、 吡啶 为溶剂， 生成 5,6,14,15-Dibenzo-4,16-dioxa-1-thia-7,13-diazacyclooctadeca-5,14-diene
  参考文献：
  名称：

  Synthesis of macroheterocyclic analogs of dibenzocrown-compounds. 3. 18-Membered oxathiazacrown-compounds

  摘要：

  DOI：

  10.1007/bf00470035
• 作为产物：
  描述：

  1,7-Bis(2-nitrophenyl)-4-thia-1,7-dioxaheptane 在 palladium on activated charcoal 一水合肼 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以89%的产率得到1,7-Bis(2-aminophenyl)-4-thia-1,7-dioxaheptane
  参考文献：
  名称：

  在含吡啶的大环存在下卤素介导的环氧化物的打开

  摘要：

  在作为新催化剂的三种含吡啶大环二酰胺的存在下，环氧化物与元素碘和溴的开环提供了高产率的邻位碘代醇和溴代醇。这种新方法在温和条件下在各种非质子传递溶剂中区域选择性地发生。催化剂易于回收，可以重复使用多次。

  DOI：

  10.1016/s0040-4020(01)00443-4

文献信息

• Phenol-Containing Macrocyclic Diamides as New Catalysts in the Highly Regioselective Conversion of Epoxides to β-Hydroxy Thiocyanates
  作者：Hashem Sharghi、Mohammad Ali Nasseri、Khodabakhsh Niknam

  DOI：10.1021/jo0103266

  日期：2001.11.1

  The regioselective ring-opening reactions of some epoxides with ammonium thiocyanate in the presence of a series of new phenol-containing macrocyclic diamides and also dibenzo-18-crown-6-, 18-crown-6-, benzo-15-crown-5-, and pyridine-containing macrocyclic diamide have been studied. The epoxides were subject to cleavage by NH4SCN in the presence of these catalysts under mild reaction conditions in various aprotic solvents. In this study, reagents and conditions have been discovered with which the individual beta -hydroxy thiocyanates can be synthesized in high yield and with more than 90% regioselectivity. The results can be discussed in terms of a four-step mechanism: (1) formation of complex between catalyst and NH4SCN, (2) release of SCN- nucleophile from the complex, (3) reaction of the active nucleophile at the less sterically hindered site in the epoxide, and (4) regeneration of catalyst. The major advantages of this method are as follows: (1) high regioselectivity, (2) simple regeneration of catalyst, (3) its reuse through several cycles without a decrease in activity, and (4) ease of workup of the reaction.
• Synthesis of macroheterocycles ? Analogs of dibenzo-crown compounds. 4. 15?18-Membered pyridine-containing crown compounds
  作者：I. V. Mikhura、A. A. Formanovskii

  DOI：10.1007/bf00481531

  日期：1989.11
• FORMANOVSKIJ, A. A.;MIXURA, I. V.;SOKOLOVSKIJ, S. A.;TERENTEV, P. B., XIMIYA GETEROTSIKL. SOED.,(1989) N, S. 845-850
  作者：FORMANOVSKIJ, A. A.、MIXURA, I. V.、SOKOLOVSKIJ, S. A.、TERENTEV, P. B.

  DOI：——

  日期：——
• MIXURA, I. V.;FORMANOVSKIJ, A. A., XIMIYA GETEROTSIKL. SOED.,(1989) N1, S. 1559-1562
  作者：MIXURA, I. V.、FORMANOVSKIJ, A. A.

  DOI：——

  日期：——
• The halogen-mediated opening of epoxides in the presence of pyridine-containing macrocycles
  作者：Hashem Sharghi、Khodabakhsh Niknam、Maryam Pooyan

  DOI：10.1016/s0040-4020(01)00443-4

  日期：2001.7

  The ring opening of epoxides with elemental iodine and bromine in the presence of three pyridine-containing macrocyclic diamides as new catalysts affords vicinal iodo alcohols and bromo alcohols in high yields. This new procedure occurs regioselectively under mild conditions in various aprotic solvents. The catalysts are easily recovered and can be reused several times.

  在作为新催化剂的三种含吡啶大环二酰胺的存在下，环氧化物与元素碘和溴的开环提供了高产率的邻位碘代醇和溴代醇。这种新方法在温和条件下在各种非质子传递溶剂中区域选择性地发生。催化剂易于回收，可以重复使用多次。