1-碘-4-[2-[2-[2-[2-[2-[2-(4-碘苯氧基)乙氧基]乙氧基]乙氧基]乙氧基]乙氧基]乙氧基]苯 | 137707-95-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 1-碘-4-[2-[2-[2-[2-[2-[2-(4-碘苯氧基)乙氧基]乙氧基]乙氧基]乙氧基]乙氧基]乙氧基]苯
• 英文名称: 1,17-bis(4'-iodophenoxy)-3,6,9,12,15-pentaoxaheptadecane
• 英文别名: 1,17-Bis(4-iodophenoxy)-3,6,9,12,15-pentaoxaheptadecane；1-iodo-4-[2-[2-[2-[2-[2-[2-(4-iodophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
• CAS: 137707-95-0
• 化学式: C₂₄H₃₂I₂O₇
• 分子量: 686.323
• InChiKey: NREWBUALWJAATK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  33
• 可旋转键数：
  20
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  64.6
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  1-碘-4-[2-[2-[2-[2-[2-[2-(4-碘苯氧基)乙氧基]乙氧基]乙氧基]乙氧基]乙氧基]乙氧基]苯 在 bis(triphenylphosphine)paladium(II) dichloride 哌啶 、 copper(l) iodide 、 sodium carbonate 、 三苯基膦 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 19.5h， 生成 1,17-bis(4'-ethynylphenoxy)-3,6,9,12,15-pentaoxaheptadecane
  参考文献：
  名称：

  Synthesis and Helicity Induction of Poly(phenylacetylene) Derivatives Bearing a Crown Cavity on the Main Chain

  摘要：

  The cyclopolymerizations of alpha,omega-diacetylene monomers, 1, 14-bis(4'-ethynylphenoxy)-3,6,9,12-tetraoxatetradecane (1) and 1,17-bis(4'-ethynylphenoxy)-3,6,9,12,15-pentaoxaheptadecane (2), were carried out in chloroform at a monomer concentration of 0.02 mol L(-1) using Rh(nbd)BPh(4) as the catalyst to afford organic-solvent-soluble and gel-free polymers. The obtained polymers were assignable to poly(phenylacetylene) derivatives with crown ether on the main chain (poly-1 and poly-2, respectively). In addition, the laser Raman spectra showed that both polymers possessed a highly cis-transoidal stereoregularity. The CD spectra of poly-1 and poly-2 in the presence of the perchloric acid salts of L-phenylglycine (L center dot Pgly center dot HClO(4)) showed a characteristic induced CD (ICD) in the UV-vis absorption region of the polymer backbone from 290 to 530 nm, and the CD patterns of both polymers in the presence Of D-and L center dot Pgly center dot HClO(4) were mirror images. Like other dynamic helical polymers, the amount of a guest, temperature, and solvent had significant influences on the induced helical structure.

  DOI：

  10.1021/ma051824+
• 作为产物：
  描述：

  4-碘苯酚 、 六乙二醇双-P二对甲苯磺酸 在 sodium hydroxide 作用下， 以 二甲基亚砜 为溶剂， 反应 8.0h， 以84%的产率得到1-碘-4-[2-[2-[2-[2-[2-[2-(4-碘苯氧基)乙氧基]乙氧基]乙氧基]乙氧基]乙氧基]乙氧基]苯
  参考文献：
  名称：

  Synthesis and Helicity Induction of Poly(phenylacetylene) Derivatives Bearing a Crown Cavity on the Main Chain

  摘要：

  The cyclopolymerizations of alpha,omega-diacetylene monomers, 1, 14-bis(4'-ethynylphenoxy)-3,6,9,12-tetraoxatetradecane (1) and 1,17-bis(4'-ethynylphenoxy)-3,6,9,12,15-pentaoxaheptadecane (2), were carried out in chloroform at a monomer concentration of 0.02 mol L(-1) using Rh(nbd)BPh(4) as the catalyst to afford organic-solvent-soluble and gel-free polymers. The obtained polymers were assignable to poly(phenylacetylene) derivatives with crown ether on the main chain (poly-1 and poly-2, respectively). In addition, the laser Raman spectra showed that both polymers possessed a highly cis-transoidal stereoregularity. The CD spectra of poly-1 and poly-2 in the presence of the perchloric acid salts of L-phenylglycine (L center dot Pgly center dot HClO(4)) showed a characteristic induced CD (ICD) in the UV-vis absorption region of the polymer backbone from 290 to 530 nm, and the CD patterns of both polymers in the presence Of D-and L center dot Pgly center dot HClO(4) were mirror images. Like other dynamic helical polymers, the amount of a guest, temperature, and solvent had significant influences on the induced helical structure.

  DOI：

  10.1021/ma051824+

文献信息

• Steroidal bivalent ligands for the estrogen receptor: Design, synthesis, characterization and binding affinities
  作者：Andrew L. LaFrate、Kathryn E. Carlson、John A. Katzenellenbogen

  DOI：10.1016/j.bmc.2009.04.016

  日期：2009.5

  Steroidal bivalent ligands for the estrogen receptor (ER) were designed using crystal structures of ER alpha dimers as a template. The syntheses of several 17 alpha-ethynylestradiol-based bivalent ligands with varying linker compositions and lengths are described. The binding affinities of these bivalent ligands for ERa and ER beta were determined. In the two series of bivalent ligands that we synthesized, there is a clear correlation between linker length and binding affinity, both of which reach a maximum at the same tether length. Further studies are underway to explore aspects of bivalent ligand and control compound binding to the ERs and their effects on ER dimer formation; these results will be reported in a subsequent publication. (C) 2009 Elsevier Ltd. All rights reserved.
• <i>In Situ</i> Generation of Azonia-Containing Polyelectrolytes for Luminescent Photopatterning and Superbug Killing
  作者：Xiaolin Liu、Mengge Li、Ting Han、Bing Cao、Zijie Qiu、Yuanyuan Li、Qiyao Li、Yubing Hu、Zhiyang Liu、Jacky W. Y. Lam、Xianglong Hu、Ben Zhong Tang

  DOI：10.1021/jacs.9b04757

  日期：2019.7.17

  Polyelectrolytes play an important role in both natural biological systems and human society, and their synthesis, functional exploration, and profound application are thus essential for biomimicry and creating new materials. In this study, we developed an efficient synthetic methodology for in situ generation of azonia-containing polyelectrolytes in a one-pot manner by using readily accessible nonionic reactant in the presence of commercially available cheap ionic species. The resulting polyelectrolytes are emissive in the solid state and can readily form luminescent photopatterns with different colors. The azonia-containing polyelectrolytes possess extraordinary potency of reactive oxygen species (ROS) generation, enabling them to impressively kill methicillin-resistant Staphylococcus aureus (MRSA), a drug resistant superbug, both in vitro and in vivo.
• Synthesis and Helicity Induction of Poly(phenylacetylene) Derivatives Bearing a Crown Cavity on the Main Chain
  作者：Ryohei Kakuchi、Ryosuke Sakai、Issei Otsuka、Toshifumi Satoh、Harumi Kaga、Toyoji Kakuchi

  DOI：10.1021/ma051824+

  日期：2005.11.1

  The cyclopolymerizations of alpha,omega-diacetylene monomers, 1, 14-bis(4'-ethynylphenoxy)-3,6,9,12-tetraoxatetradecane (1) and 1,17-bis(4'-ethynylphenoxy)-3,6,9,12,15-pentaoxaheptadecane (2), were carried out in chloroform at a monomer concentration of 0.02 mol L(-1) using Rh(nbd)BPh(4) as the catalyst to afford organic-solvent-soluble and gel-free polymers. The obtained polymers were assignable to poly(phenylacetylene) derivatives with crown ether on the main chain (poly-1 and poly-2, respectively). In addition, the laser Raman spectra showed that both polymers possessed a highly cis-transoidal stereoregularity. The CD spectra of poly-1 and poly-2 in the presence of the perchloric acid salts of L-phenylglycine (L center dot Pgly center dot HClO(4)) showed a characteristic induced CD (ICD) in the UV-vis absorption region of the polymer backbone from 290 to 530 nm, and the CD patterns of both polymers in the presence Of D-and L center dot Pgly center dot HClO(4) were mirror images. Like other dynamic helical polymers, the amount of a guest, temperature, and solvent had significant influences on the induced helical structure.