25,26,27-tris(ethoxycarbonylmethoxy)-28-[[4-[(benzimidazol-2-yl)carbonylamino]phenyl]oxycarbonylmethoxy]calix-4-arene

• 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: 25,26,27-tris(ethoxycarbonylmethoxy)-28-[[4-[(benzimidazol-2-yl)carbonylamino]phenyl]oxycarbonylmethoxy]calix-4-arene
• 英文别名: 25,26,27-tris(ethoxycarbonylmethoxy)-28-[4-{(benzimidazol-2-yl)carbonylamino}phenyloxycarbonylmethoxy]calix-4-arene；ethyl 2-[[27-[2-[4-(1H-benzimidazole-2-carbonylamino)phenoxy]-2-oxoethoxy]-26,28-bis(2-ethoxy-2-oxoethoxy)-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]acetate
• 化学式: C₅₆H₅₃N₃O₁₃
• 分子量: 976.049
• InChiKey: FHDYQFNRUWQLEP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.6
• 重原子数：
  72
• 可旋转键数：
  22
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  200
• 氢给体数：
  2
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  N-(4-氯苯基)-2-氯乙酰胺 在 sodium hydride 、 sulfur 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 28.0h， 生成 25,26,27-tris(ethoxycarbonylmethoxy)-28-[[4-[(benzimidazol-2-yl)carbonylamino]phenyl]oxycarbonylmethoxy]calix-4-arene
  参考文献：
  名称：

  SYNTHESIS OF 25,26,27-TRIS(ETHOXYCARBONYLMETHOXY)- 28-(SUBSTITUTED OXY-CARBONYLMETHOXY) CALIX-4-ARENE: FIRST EXAMPLE OF CALIX-IMIDAZOLE/BENZIMIDAZOLE ANALOG

  摘要：

  Synthesis of calyx-imidazole/benzimidazole analog i.e., 25,26, 27-tris(ethoxycarbonylmethoxy)-28-({2'-phenylcarbamoyl} benzimidazolyloxycarbonylmethoxy) calyx-4-arene. 6(a), 25,26, 27-tris(ethoxycarbonylmethoxy)-28-({2"-phenylcarbamoyl} 4',5'-dihydroimidazolyloxycarbonylmethoxy) calyx-4-arene. 6(b) and 25,26,27-tris-(ethoxycarbonylmethoxy)-28-({2"-phenyl} aminocarbamoyl-4',5'-dihydroimidazolyloxycarbonylmethoxy) calyx-4-arene. 6(c) have been described. Structure elucidation explains the interaction of substituted imidazole/benzimidazole (1(a-c)) with calyx-4-arene system. Purity of all the synthesized products was ascertained on the basis of their column chromatographic resolution on silica gel using chloroform-ethylacetate (7 : 3, v/v) as eluent and recrystallization from a mixture of chloroform-methanol (1 : 1, v/v).

  DOI：

  10.1081/scc-120006023

文献信息

• SYNTHESIS OF 25,26,27-<i>TRIS</i>(ETHOXYCARBONYLMETHOXY)- 28-(SUBSTITUTED OXY-CARBONYLMETHOXY) CALIX-4-ARENE: FIRST EXAMPLE OF CALIX-IMIDAZOLE/BENZIMIDAZOLE ANALOG
  作者：Pratibha Sharma、Ashok Kumar、Anupam Mandloi

  DOI：10.1081/scc-120006023

  日期：2002.1

  Synthesis of calyx-imidazole/benzimidazole analog i.e., 25,26, 27-tris(ethoxycarbonylmethoxy)-28-(2'-phenylcarbamoyl} benzimidazolyloxycarbonylmethoxy) calyx-4-arene. 6(a), 25,26, 27-tris(ethoxycarbonylmethoxy)-28-(2"-phenylcarbamoyl} 4',5'-dihydroimidazolyloxycarbonylmethoxy) calyx-4-arene. 6(b) and 25,26,27-tris-(ethoxycarbonylmethoxy)-28-(2"-phenyl} aminocarbamoyl-4',5'-dihydroimidazolyloxycarbonylmethoxy) calyx-4-arene. 6(c) have been described. Structure elucidation explains the interaction of substituted imidazole/benzimidazole (1(a-c)) with calyx-4-arene system. Purity of all the synthesized products was ascertained on the basis of their column chromatographic resolution on silica gel using chloroform-ethylacetate (7 : 3, v/v) as eluent and recrystallization from a mixture of chloroform-methanol (1 : 1, v/v).
• Synthesis of 25,26,27-<b> <i>tris</i> </b>(Ethoxycarbonylmethoxy)-28-(substituted Oxy-carbonylmethoxy) Calix-4-arene: First Example of Calix-imidazole/Benzimidazole Analog
  作者：Pratibha Sharma、Ashok Kumar、Anupam Mandloi

  DOI：10.1081/scc-120015765

  日期：2003.1.3

  Synthesis of calix-imidazole/benzimidazole analog i.e., 25,26, 27-tris-(ethoxycarbonylmethoxy)-28-(2'-phenylcarbamoyl} benzimi-dazolyloxycarbonylmethoxy) calix-4-arene. 6(a), 25,26,27-tris- (ethoxycarbonylmethoxy)-28-( 2"-phenylcarbamoyl} 4',5'-dihydroimidazolyloxy-carbonylmethoxy) calix-4-arene. 6(b) and 25,26,27-tris-(ethoxycarbony-methoxy) calix-4-arene 6(c) have been described. Structure elucidation explains the interaction of substituted imidazole/benzimidazole (1(a-c)) with calix-4-arene system. Purity of all the synthesized products was ascertained on the basis of their column chromatographic resolution on silica gel using chloroform-ethylacetate (7:3, v/v) as eluent and recrystallization from a mixture of chloroform-methanol (1: 1, v/v).