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1,6-bis(4-iodophenoxy)hexane

中文名称
——
中文别名
——
英文名称
1,6-bis(4-iodophenoxy)hexane
英文别名
1-iodo-4-[6-(4-iodophenoxy)hexoxy]benzene
1,6-bis(4-iodophenoxy)hexane化学式
CAS
——
化学式
C18H20I2O2
mdl
——
分子量
522.165
InChiKey
VSQBPQTXIVESLQ-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    6.3
  • 重原子数:
    22
  • 可旋转键数:
    9
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.33
  • 拓扑面积:
    18.5
  • 氢给体数:
    0
  • 氢受体数:
    2

上下游信息

  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    描述:
    1,6-bis(4-iodophenoxy)hexane9-甲基氨基-萘嵌苯-1-酮potassium tert-butylate氢化钾 作用下, 以 1,4-二氧六环二甲基亚砜 为溶剂, 反应 24.0h, 以67%的产率得到1,6-diphenoxyhexane
    参考文献:
    名称:
    芳基卤化物的催化脱卤氘和加氢脱卤中的还原苯甲醛
    摘要:
    脱卤氘化反应通常通过金属介导的过程进行。该报告证明了在不含过渡金属的条件下使用还原的奇数交替的烃基菲烯基进行的芳基/杂芳基卤化物的加氢脱卤和脱卤氘化的温和方案(39个实例),并且已成功地用于将氘掺入各种生物活性化合物中。实验和理论研究相结合的方法揭示了一种基于单电子转移的机理。
    DOI:
    10.1021/acs.joc.1c00573
  • 作为产物:
    描述:
    4-碘苯酚potassium carbonate 作用下, 以 N,N-二甲基甲酰胺 为溶剂, 反应 4.0h, 生成 1,6-bis(4-iodophenoxy)hexane
    参考文献:
    名称:
    发现具有柔性接头的地苯氧基衍生物作为 β-淀粉样蛋白斑的配体。
    摘要:
    具有 π 共轭系统的高度刚性和平面支架已被广泛认为是 β-淀粉样蛋白 (Aβ) 结合配体必不可少的。在这项研究中,合成并评估了具有不同类型的更灵活的接头作为 Aβ 配体的二苯氧基化合物库。它们中的大多数对 Aβ 1-42聚集体显示出良好的亲和力 ( K i < 100 nM) ,一些配体甚至显示出K i值小于 10nM。构效关系分析表明,接头或取代基的修饰具有很大的灵活性,这挑战了长期以来认为刚性和平面结构专用于 Aβ 结合的观点。三种配体被碘125标记,它们在体外和体内表现出良好的特性,进一步支持这种柔性支架在Aβ成像剂的开发中具有潜力和前景。
    DOI:
    10.1021/acs.molpharmaceut.0c00537
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文献信息

  • Room-Temperature Metal-Free Multicomponent Polymerizations of Elemental Selenium toward Stable Alicyclic Poly(oxaselenolane)s with High Refractive Index
    作者:Xiuying Wu、Junxia He、Rongrong Hu、Ben Zhong Tang
    DOI:10.1021/jacs.1c06732
    日期:2021.9.29
    selenium-involving covalent bonds. In this work, room-temperature metal-free multicomponent polymerizations (MCPs) of elemental selenium, diisocyanides, and dipropargyl alcohols were developed, and polymers with a selenium-containing aliphatic heterocycle, 1,3-oxaselenolane, were synthesized through these MCPs directly from elemental selenium. The alicyclic poly(oxaselenolane)s enjoyed high yields (up to
    含硒聚合物是一组引人入胜的功能聚合物,具有独特的结构、性能和应用,最近得到了发展,但例子有限。开发具有结构和功能多样性的含硒聚合物面临的挑战包括缺乏经济安全的单体、缺乏高效便捷的合成方法以及含硒共价键的稳定性差。在这项工作中,开发了元素硒、二异氰化物和二炔丙醇的室温无金属多组分聚合 (MCP),并通过这些 MCP 直接从元素硒。脂环族聚 (oxaselenolane) 的收率很高(高达 93%),高分子量(高达 15 600 g/mol)、高热稳定性和化学稳定性、良好的溶解性和可加工性。随着聚(氧杂硒醇烷)的结构设计及其高达 33.7 wt% 的高硒含量,其旋涂薄膜的折射率在 633 nm 处可达到 1.8026,在 1700 nm 处保持为 1.7770。预计这些高效、便捷、温和、经济的元素硒多组分聚合反应可以促进硒相关聚合物化学的发展,加速探索多样化的含硒功能高分子材料。他们的旋涂薄膜的折射率在
  • Poly[bis(triphenylamine) ether]s with low glass transition temperatures as photoconductors in fast photorefractive systems
    作者:Ostrauskaite, Jolita、Karickal, Haridas R.、Leopold, Andre、Haarer, Dietrich、Thelakkat, Mukundan
    DOI:10.1039/b105930k
    日期:2002.12.10
    A series of photoconducting poly(tetraphenyldiaminobiphenylene alkyl ether)s in which tetraphenyldiaminobiphenyl (TPD) units are covalently linked through flexible oligomethylene glycol spacers in the main chain were synthesized and the thermal, optical and electrochemical properties were studied. Due to the introduction of flexible spacers, the polymers are highly soluble and could be obtained as film-forming materials with appreciably high molecular weights. The polymers exhibit glass transition temperatures between 92 °C and 128 °C which is about 100 °C less than those main chain polymeric bis(triphenylamine)s without such spacers. The HOMO value as determined from cyclic voltammetry is about −5.1 eV. The glass transition temperature of the photorefractive composites prepared by mixing the different polymers with an electro-optic chromophore, 1-(2-ethylhexyloxy)-2,5-dimethyl-4-(4-nitrophenylazo)benzene, EHDNPB, could be tuned over a wide range about room temperature by just changing the photoconductor and without the need of any additional amount of plasticizer. Degenerate four-wave mixing and two-beam coupling in composites with the composition, photoconductor ∶ EHDNPB ∶ C60 (60 ∶ 39 ∶ 1 by wt/wt%) results in refractive index modulations of 10−3 with corresponding response time ∼10 ms and a photorefractive gain of Γ = 13 cm−1 for a writing beam intensity of 1 W cm−2 (645 nm) under an external electric field of 60 V µm−1.
    一系列在主链上通过柔性低聚亚甲基二醇间隔基共价连接四苯基二氨基联苯(TPD)单元的光导聚(四苯基二氨基联苯烷基醚)被合成,并研究了其热学、光学和电化学性质。由于引入了柔性间隔基,这些聚合物具有高溶解性,并可获得具有相当高分子量的成膜材料。这些聚合物表现出92至128°C的玻璃化转变温度,比没有此类间隔基的主链聚双(三苯胺)低约100°C。从循环伏安法测得的HOMO值约为-5.1 eV。通过将不同聚合物与电光染料1-(2-乙基己氧基)-2,5-二甲基-4-(4-硝基苯偶氮)苯,EHDNPB混合制备的光折变复合材料的玻璃化转变温度,可以通过仅改变光导体而不需要任何额外增塑剂的量,在室温附近广泛范围内调节。具有组成光导体∶EHDNPB∶C60(重量比60∶39∶1%)的复合材料中退化四波混频和双光束耦合导致折射率调制为10-3,相应的响应时间约为10毫秒,并且在60 V μm-1的外加电场下,对于1 W cm-2(645 nm)的写入光束强度,光折变增益为Γ=13 cm-1。
  • <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 biological evaluation of novel symmetry bis-enediynes
    作者:Kuo-Feng Tseng、Chi-Fong Lin、Yu-Hsiang Lo、Yi-Ling Hu、Li-Yi Chen、Sheng-Huei Yang、Shinne-Ren Lin、Long-Sen Chang、Ming-Jung Wu
    DOI:10.1016/j.ejmech.2008.03.005
    日期:2009.1
    A series of acyclic symmetry bis-enediynes have been synthesized successfully and their bioactivities were evaluated. Among them, 1,6-bis(4-((2-(pyridin-2-ylethynyl)phenyl)ethynyl)phenoxy)hexane 8g showed good inhibition activity against the CCRF-CEM (GI(50) = 0.04 mu M) and HL-60 (GI(50) = 0.09 mu M) Cell lines of human leukemia. The cell cycle analysis shows that compound 8g arrests cell cycle via inhibiting Cyclin A and Cyclin B expressions in low concentration and induces a significant apoptosis progress in high concentration. (C) 2008 Elsevier Ltd. All rights reserved.
  • Discovery of Diphenoxy Derivatives with Flexible Linkers as Ligands for β-Amyloid Plaques
    作者:Jianhua Jia、Longfei Zhang、Jia Song、Jiapei Dai、Mengchao Cui
    DOI:10.1021/acs.molpharmaceut.0c00537
    日期:2020.11.2
    analysis revealed that modification on the linkers or substituents tolerated great flexibility, which challenged the long-held belief that rigid and planar structures are exclusively favored for Aβ binding. Three ligands were labeled by iodine-125, and they exhibited good properties in vitro and in vivo, which further supported that this flexible scaffold was potential and promising for the development
    具有 π 共轭系统的高度刚性和平面支架已被广泛认为是 β-淀粉样蛋白 (Aβ) 结合配体必不可少的。在这项研究中,合成并评估了具有不同类型的更灵活的接头作为 Aβ 配体的二苯氧基化合物库。它们中的大多数对 Aβ 1-42聚集体显示出良好的亲和力 ( K i < 100 nM) ,一些配体甚至显示出K i值小于 10nM。构效关系分析表明,接头或取代基的修饰具有很大的灵活性,这挑战了长期以来认为刚性和平面结构专用于 Aβ 结合的观点。三种配体被碘125标记,它们在体外和体内表现出良好的特性,进一步支持这种柔性支架在Aβ成像剂的开发中具有潜力和前景。
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