5,17-Diamino-11,23,29-trimethylhexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9,11,13(34),15,17,19(33),21,23,25(32),27(31),28-pentadecaene-31,32,33,34,35-pentol | 489426-56-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 5,17-Diamino-11,23,29-trimethylhexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9,11,13(34),15,17,19(33),21,23,25(32),27(31),28-pentadecaene-31,32,33,34,35-pentol
• 英文别名: 5,17-diamino-11,23,29-trimethylhexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9,11,13(34),15,17,19(33),21,23,25(32),27(31),28-pentadecaene-31,32,33,34,35-pentol
• CAS: 489426-56-4
• 化学式: C₃₈H₃₈N₂O₅
• 分子量: 602.73
• InChiKey: JDCUONZUHLKKQR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  45
• 可旋转键数：
  0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  153
• 氢给体数：
  7
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  5,17-Diamino-11,23,29-trimethylhexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9,11,13(34),15,17,19(33),21,23,25(32),27(31),28-pentadecaene-31,32,33,34,35-pentol 在 N-羟基-7-氮杂苯并三氮唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 生成 5,17-bis-[[2-amino-4-methyl-1-oxopentyl]amino]-11,23,29-trimethyl-31,32,33,34,35-pentahydroxy-calix[5]arene dihydrotrifluoroacetate
  参考文献：
  名称：

  Enantioselective Recognition of Calix[5]arene-based Artificial Receptor Bearing Chiral Macrocycle for Chiral Ethyltrimethylammonium Salts

  摘要：

  合成了以杯[5]芳烃为基础的人工受体1，其上端为手性大环4，通过阳离子/π和氢键相互作用，该人工受体1对乙基三甲基铵盐表现出很强的结合力。杯[5]芳烃空腔提供了不对称客体结合环境，手性客体6-14以对映选择性方式被包裹在其中。

  DOI：

  10.1246/cl.2007.1054
• 作为产物：
  描述：

  5,17,29-trimethyl-31,32,33,34,35-pentahydroxycalix[5]arene 在 sodium acetate 、 对氨基苯甲酸 、 sodium nitrite 、 sodium hydroxide 、 sodium dithionite 作用下， 以 甲醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 以68%的产率得到5,17-Diamino-11,23,29-trimethylhexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9,11,13(34),15,17,19(33),21,23,25(32),27(31),28-pentadecaene-31,32,33,34,35-pentol
  参考文献：
  名称：

  Synthesis and binding behavior of a Zn(II)-porphyrin having calix[5]arene cap

  摘要：

  The synthesis and binding behavior of a Zn(II)-porphyrin having a calix[5]arene cap are presented. In order to synthesize such a bridged porphyrin, 5,15-bis(7-carboxy-1-naphthyl)-10,20-diphenylporphyrin having the syn arrangement of two naphthalene rings has been prepared. Amidation of the porphyrin and calix[5]arene having two amino functions and subsequent treatment of Zn(OAc)(2) gave a calix[5]arene capped Zn-porphyrin. Calix[5]arene-Zn-porphyrin was found to bind 4-methylpyridine much stronger than TPP-Zn. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)01655-6

文献信息

• Synthesis and binding behavior of a Zn(II)-porphyrin having calix[5]arene cap
  作者：Hajime Iwamoto、Yoshiko Yukimasa、Yoshimasa Fukazawa

  DOI：10.1016/s0040-4039(02)01655-6

  日期：2002.11

  The synthesis and binding behavior of a Zn(II)-porphyrin having a calix[5]arene cap are presented. In order to synthesize such a bridged porphyrin, 5,15-bis(7-carboxy-1-naphthyl)-10,20-diphenylporphyrin having the syn arrangement of two naphthalene rings has been prepared. Amidation of the porphyrin and calix[5]arene having two amino functions and subsequent treatment of Zn(OAc)(2) gave a calix[5]arene capped Zn-porphyrin. Calix[5]arene-Zn-porphyrin was found to bind 4-methylpyridine much stronger than TPP-Zn. (C) 2002 Elsevier Science Ltd. All rights reserved.
• Enantioselective Recognition of Calix[5]arene-based Artificial Receptor Bearing Chiral Macrocycle for Chiral Ethyltrimethylammonium Salts
  作者：Takeharu Haino、Hiroyuki Fukuoka、Masakazu Katayama、Yoshimasa Fukazawa

  DOI：10.1246/cl.2007.1054

  日期：2007.8.5

  Calix[5]arene-based artificial receptor 1 capped with chiral macrocycle 4 was synthesized and showed strong binding toward ethyltrimethylammonium salts via cation/π and hydrogen-bonding interactions. The calix[5]arene cavity provided the dissymmetric guest-binding environment in which chiral guests 6–14 were encapsulated in an enantioselective fashion.

  合成了以杯[5]芳烃为基础的人工受体1，其上端为手性大环4，通过阳离子/π和氢键相互作用，该人工受体1对乙基三甲基铵盐表现出很强的结合力。杯[5]芳烃空腔提供了不对称客体结合环境，手性客体6-14以对映选择性方式被包裹在其中。