5,17-Dibromo-25,26,27,28-tetrakis(2-methoxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene | 143406-42-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5,17-Dibromo-25,26,27,28-tetrakis(2-methoxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene
• CAS: 143406-42-2；143444-63-7；758722-81-5
• 化学式: C₄₀H₄₆Br₂O₈
• 分子量: 814.608
• InChiKey: BBEPSWLNYCOLKF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  50
• 可旋转键数：
  16
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  73.8
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  5,17-Dibromo-25,26,27,28-tetrakis(2-methoxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene 在 lithium bromide 、 nickel dichloride 作用下， 以 二苯醚 、 乙腈 为溶剂， 反应 50.0h， 生成 5,17-bis-(hydroxymethoxyphosphoryl)-25,26,27,28-tetrakis(2-methoxyethoxy)calix[4]arene dilithium salt
  参考文献：
  名称：

  杯[4]芳烃膦酸酯——识别水中的氨基醇

  摘要：

  通过在上缘引入膦酸基团，以良好的收率获得了水溶性杯[4]芳烃基空腔；我们描述了在 pD 7.3 的磷酸盐缓冲液中与麻黄碱、去甲麻黄碱和去甲肾上腺素盐酸盐复合物的设计、合成和形成。© 2004 Wiley Periodicals, Inc. 杂原子化学 15:155–161, 2004; 在线发表于 Wiley InterScience (www.interscience.wiley.com)。DOI 10.1002/hc.10229

  DOI：

  10.1002/hc.10229
• 作为产物：
  描述：

  杯[4]芳烃 在 N-溴代丁二酰亚胺(NBS) 、 potassium carbonate 、 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 、 乙腈 、 丁酮 为溶剂， 反应 30.0h， 生成 5,17-Dibromo-25,26,27,28-tetrakis(2-methoxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene
  参考文献：
  名称：

  Tetra-O-alkylated calix[4]arenes in the 1,3-alternate conformation

  摘要：

  A general method has been developed for the preparation f tetra-O-alkylated calix[4]arenes in the 1,3-alternate conformation (3a,c-e) starting from p-tert-butylcalix[4]arenes 1a,b using Cs2CO3 in DMF. The 1,3-alternate conformation was unequivocally proved by an X-ray structure determination of 3a. The scope of the reaction was investigated starting from a series of diametrically di-O-alkylated calix[4]arenes 4a-e having different substituents R2 (t-Bu, CHO, NO2, Br, CN) at the para positions of the phenolic rings. The reactions of 4a-d (R2 = t-Bu, CHO, NO2, Br) yielded the corresponding tetra-0-alkylated calix[4]arenes in the 1,3-alternate conformation 5a-d (51-73%). However, the dicyanocalix[4]arene 4e gave the partial cone conformer 6 as the major reaction product.

  DOI：

  10.1021/jo00046a021

文献信息

• Calix[4]arene phosphonates - recognition of amino alcohols in water
  作者：Dariusz Witt、Joanna Dziemidowicz、Janusz Rachon

  DOI：10.1002/hc.10229

  日期：——

  The water-soluble calix[4]arenes based cavitands were obtained in good yield by introduction of phosphonic acids groups at the upper rim; we describe the design, synthesis, and formation of the complexes with ephedrine, norephedrine, and noradrenaline hydrochloride in the phosphate buffer at pD 7.3. © 2004 Wiley Periodicals, Inc. Heteroatom Chem 15:155–161, 2004; Published online in Wiley InterScience

  通过在上缘引入膦酸基团，以良好的收率获得了水溶性杯[4]芳烃基空腔；我们描述了在 pD 7.3 的磷酸盐缓冲液中与麻黄碱、去甲麻黄碱和去甲肾上腺素盐酸盐复合物的设计、合成和形成。© 2004 Wiley Periodicals, Inc. 杂原子化学 15:155–161, 2004; 在线发表于 Wiley InterScience (www.interscience.wiley.com)。DOI 10.1002/hc.10229
• Tetra-O-alkylated calix[4]arenes in the 1,3-alternate conformation
  作者：Willem Verboom、Sumana Datta、Zouhair Asfari、Sybolt Harkema、David N. Reinhoudt

  DOI：10.1021/jo00046a021

  日期：1992.9

  A general method has been developed for the preparation f tetra-O-alkylated calix[4]arenes in the 1,3-alternate conformation (3a,c-e) starting from p-tert-butylcalix[4]arenes 1a,b using Cs2CO3 in DMF. The 1,3-alternate conformation was unequivocally proved by an X-ray structure determination of 3a. The scope of the reaction was investigated starting from a series of diametrically di-O-alkylated calix[4]arenes 4a-e having different substituents R2 (t-Bu, CHO, NO2, Br, CN) at the para positions of the phenolic rings. The reactions of 4a-d (R2 = t-Bu, CHO, NO2, Br) yielded the corresponding tetra-0-alkylated calix[4]arenes in the 1,3-alternate conformation 5a-d (51-73%). However, the dicyanocalix[4]arene 4e gave the partial cone conformer 6 as the major reaction product.