5,11,17-tris(p-tert-butyl)-23-chloromethyl-25,-26,27,28-tetrahydroxycalix[4]arene | 200443-58-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 5,11,17-tris(p-tert-butyl)-23-chloromethyl-25,-26,27,28-tetrahydroxycalix[4]arene
• 英文别名: 5,11,17-tris(p-tert-butyl)-23-chloromethylcalix[4]arene；5,11,17-Tritert-butyl-23-(chloromethyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,26,27,28-tetrol
• CAS: 200443-58-9
• 化学式: C₄₁H₄₉ClO₄
• 分子量: 641.291
• InChiKey: BNMGRKSVNWHWHZ-UHFFFAOYSA-N

物化性质

• 沸点：
  695.7±55.0 °C(predicted)
• 密度：
  1.158±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  11.7
• 重原子数：
  46
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  80.9
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5,11,17-tris(p-tert-butyl)-23-chloromethyl-25,-26,27,28-tetrahydroxycalix[4]arene 在 sodium azide 作用下， 以 二甲基亚砜 为溶剂， 反应 3.0h， 以80%的产率得到5,11,17-tris(p-tert-butyl)-23-azidomethylcalix[4]arene
  参考文献：
  名称：

  Mono-functionalization of the tris-(p-tert-butyl)calix[4]arene

  摘要：

  Various types of tris-(p-tert-butyl)calix [4] arenes displaying an active methylene group at the upper rim have been synthesized in view of developing more elaborated structures. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)10305-7
• 作为产物：
  描述：

  氯甲基辛基醚 、 cone-5,11,17-tri-(tert-butyl)-28-hydroxycalix<4>arene 在 四氯化锡 作用下， 以 氯仿 为溶剂， 反应 2.0h， 以90%的产率得到5,11,17-tris(p-tert-butyl)-23-chloromethyl-25,-26,27,28-tetrahydroxycalix[4]arene
  参考文献：
  名称：

  Mono-functionalization of the tris-(p-tert-butyl)calix[4]arene

  摘要：

  Various types of tris-(p-tert-butyl)calix [4] arenes displaying an active methylene group at the upper rim have been synthesized in view of developing more elaborated structures. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)10305-7

文献信息

• Transportation of Poorly Soluble Drug Molecules from the Organic Phase to the Aqueous Phase by Using Phosphorylated Calixarenes
  作者：Mevlüt Bayrakcı、Şeref Ertul、Mustafa Yilmaz

  DOI：10.1021/je2004319

  日期：2011.12.8

  This study is the first report on the extraction of poorly soluble drug molecules such as nifedipine, niclosamide, and furosemide from the organic phase to the aqueous phase by water-soluble p-phosphonate calix[n]arene receptors via a liquid-liquid phase extraction process. These water-soluble calixarene derivatives were easily obtained from the reaction between their corresponding chloromethylated derivatives and trimethyl phosphite. From the liquid-liquid phase extraction studies, it was observed that the size of the p-phosphonate calix[n]arenes changed the extraction percentage of selected drug molecules.