25,26,27,28-Tetramethoxypentacyclo<19.3.1.1^3,7.1^9,13.1^15,19>octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-5,17-dicarboxaldehyde | 125065-71-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 25,26,27,28-Tetramethoxypentacyclo<19.3.1.1^3,7.1^9,13.1^15,19>octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-5,17-dicarboxaldehyde
• 英文别名: 5,17-diformyl-25,26,27,28-tetramethoxy-calix[4]arene；11,23-diformyl-25,26,27,28-tetramethoxycalix[4]arene；25,26,27,28-tetramethoxypentacyclo[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-5,17-dicarbaldehyde
• CAS: 125065-71-6；129568-39-4
• 化学式: C₃₄H₃₂O₆
• 分子量: 536.624
• InChiKey: OFXPJSGARLXMOA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.02
• 重原子数：
  40.0
• 可旋转键数：
  6.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  71.06
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  25,26,27,28-Tetramethoxypentacyclo<19.3.1.1^3,7.1^9,13.1^15,19>octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-5,17-dicarboxaldehyde 在 氨基磺酸 、 sodium chlorite 作用下， 以 氯仿 、 丙酮 、 水 为溶剂， 反应 22.25h， 以88%的产率得到5,17-dicarboxy-25,26,27,28-tetramethoxycalix[4]arene
  参考文献：
  名称：

  Induced-fit recognition by p-carboxylatocalix[4]arene hosts

  摘要：

  Calix[4]arene derivatives bearing anionic carboxylato groups at the upper rim (p-carboxylatocalix[4]arenes) are able to 'grab' paraquat dicationic guest through an induced-fit mechanism, which originates from the conformational mobility of calixarene skeleton. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.11.016
• 作为产物：
  描述：

  N,N-二甲基甲酰胺 、 5,17-dibromo-25,26,27,28-tetramethoxycalix[4]arene 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 1.5h， 以96%的产率得到25,26,27,28-Tetramethoxypentacyclo<19.3.1.1^3,7.1^9,13.1^15,19>octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-5,17-dicarboxaldehyde
  参考文献：
  名称：

  Induced-fit recognition by p-carboxylatocalix[4]arene hosts

  摘要：

  Calix[4]arene derivatives bearing anionic carboxylato groups at the upper rim (p-carboxylatocalix[4]arenes) are able to 'grab' paraquat dicationic guest through an induced-fit mechanism, which originates from the conformational mobility of calixarene skeleton. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.11.016

文献信息

• Synthesis of selectively formylated calixarene ethers
  作者：Vandna Arora、H.M Chawla、Anuradha Santra

  DOI：10.1016/s0040-4020(02)00551-3

  日期：2002.7

  By careful choice of a catalyst (TiCl4 or SnCl4) temperature, reaction time and mole ratio of the substrate to dichloromethyl-methylether, it has been possible to obtain new functionalized formylated calix[n]arenes in the cone or partial cone conformation. Optimized general reaction procedures for obtaining mono-, di-, tri- and tetraformylated derivatives of calix[4]arenes as exemplified by formylation of tetramethoxy-, tetrakis(2-ethoxyethoxy)-, bis(ethoxycarbonylmethoxy)- and bis(hexadecyloxy)-calix[4]-arenes have been reported. (C) 2002 Published by Elsevier Science Ltd.
• Selective functionalization of calix[4]arenes at the upper rim
  作者：Jan Dirk Van Loon、Arturo Arduini、Laura Coppi、Willem Verboom、Andrea Pochini、Rocco Ungaro、Sybolt Harkema、David N. Reinhoudt

  DOI：10.1021/jo00308a024

  日期：1990.10
• VAN, LOON J. -D.;ARDUINI, A.;VERBOOM, W.;UNGARO, R.;VAN, HUMMEL G. J.;HAR+, TETRAHEDRON LETT., 30,(1989) N0, C. 2693-2696
  作者：VAN, LOON J. -D.、ARDUINI, A.、VERBOOM, W.、UNGARO, R.、VAN, HUMMEL G. J.、HAR+

  DOI：——

  日期：——
• VAN, LOON JAN-DIRK;ARDUINI, ARTURO;COPPI, LAURA;VERBOOM, WILLEM;POCHINI, +, J. ORG. CHEM., 55,(1990) N1, C. 5639-5646
  作者：VAN, LOON JAN-DIRK、ARDUINI, ARTURO、COPPI, LAURA、VERBOOM, WILLEM、POCHINI, +

  DOI：——

  日期：——