4,6-dinitro-N¹,N³-dioctylbenzene-1,3-diamine | 98840-65-4

• 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: 4,6-dinitro-N¹,N³-dioctylbenzene-1,3-diamine
• 英文别名: 4,6-Dinitro-N,N'-di-n-octylbenzene-1,3-diamine；4,6-dinitro-1-N,3-N-dioctylbenzene-1,3-diamine
• CAS: 98840-65-4
• 化学式: C₂₂H₃₈N₄O₄
• 分子量: 422.568
• InChiKey: FBAQYWIFXMVMAP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.5
• 重原子数：
  30
• 可旋转键数：
  16
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  116
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4,6-dinitro-N¹,N³-dioctylbenzene-1,3-diamine 在 盐酸 、 铁粉 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 水 、 乙腈 为溶剂， 反应 64.0h， 生成 2-N,4-N-bis(5-fluoro-2,4-dinitrophenyl)-1-N,5-N-dioctylbenzene-1,2,4,5-tetramine
  参考文献：
  名称：

  Fused bis-azacalixphyrin that reaches NIR-II absorptions

  摘要：

  两种杂环杯芘的融合产生了一种新型的NIR-II染料类，显示出在1000-1200纳米的近红外范围内强烈的吸收带。

  DOI：

  10.1039/c9cc09021e
• 作为产物：
  描述：

  1,3-二氯苯 在 硫酸 、 硝酸 作用下， 以 乙醇 为溶剂， 反应 72.5h， 生成 4,6-dinitro-N¹,N³-dioctylbenzene-1,3-diamine
  参考文献：
  名称：

  苯并双（咪唑）嵌入共轭聚电解质的原型：通过直接 C-H 芳基化合成和对阴离子的荧光响应

  摘要：

  我们报告了通过铜催化的阳离子苯并双（咪唑）单体与二碘化物共聚单体的直接 C-H 芳基化，方便地合成苯并双（咪唑）嵌入的共轭聚电解质pBBI 。由于共轭骨架中重复单元的旋转， pBBI在溶液中显示出微弱的荧光，并且当与各种阴离子静电相互作用形成聚集体时荧光增强。特别是，pBBI对亚硫酸氢盐阴离子的反应具有增强的独特深蓝色荧光，易于肉眼识别。

  DOI：

  10.1016/j.cclet.2021.09.092

文献信息

• Cu-catalysed oxidative C–H/C–H coupling polymerisation of benzodiimidazoles: an efficient approach to regioregular polybenzodiimidazoles for blue-emitting materials
  作者：Quan Huang、Xurong Qin、Bijin Li、Jingbo Lan、Qiang Guo、Jingsong You

  DOI：10.1039/c4cc06291d

  日期：——

  The Cu-catalysed oxidative C–H/C–H coupling reaction of azoles has been used for the first time to develop polymerisation. The resulting polybenzodiimidazoles exhibit high molecular weights, regioregularity.

  使用铜催化剂的氮杂环化合物的氧化C–H/C–H偶联反应首次被用于聚合反应的开发。所得到的聚苯基二咪唑具有高分子量和区域规则性。
• N-Substituted Azacalixphyrins: Synthesis, Properties, and Self-Assembly
  作者：Zhongrui Chen、Rose Haddoub、Jérôme Mahé、Gabriel Marchand、Denis Jacquemin、Judicaelle Andeme Edzang、Gabriel Canard、Daniel Ferry、Olivier Grauby、Alain Ranguis、Olivier Siri

  DOI：10.1002/chem.201602288

  日期：2016.12.5

  highlight the key role of the N‐substituents of the precursors and/or intermediates in terms of reactivity. Based on a combined experimental and theoretical investigation, the relationship between the properties of the macrocycles and their degree of substitution is rationalized. Depending on the nature of the N‐substituents, the formation of supramolecular ribbon‐like structures could also be observed,

  相对于大环化步骤而言，在引入取代基之前和之后会导致以前未知的N-取代的氮杂杯杂卟啉。已对逐步合成方法进行了详细研究，以突出前体和/或中间体的N取代基在反应性方面的关键作用。在实验和理论研究相结合的基础上，大环化合物的性质与其取代程度之间的关系得到合理化。根据N取代基的性质，也可以观察到超分子带状结构的形成，这通过TEM，SEM，AFM和FTIR组合实验得以证明。
• PHENAZINE DERIVATIVE AND USE THEREOF FOR THE TREATMENT OF CANCER
  申请人：CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE

  公开号：US20220315539A1

  公开（公告）日：2022-10-06

  A compound of formula (I), wherein R 1 , R 2 , R 3 and R 4 are selected from a saturated or unsaturated, branched or unbranched, cyclic or non-cyclic alkyl, or an amide, or a functional group, or a salt or a solvate thereof, or a protonated form thereof, and to the use thereof for the treatment of cancer.

  化合物式（I），其中R1、R2、R3和R4选自饱和或不饱和、支链或直链、环状或非环状烷基、酰胺、官能团、盐或其溶剂化物、或其质子化形式，以及其用于治疗癌症的用途。
• 4,6-Dinitro-<i>N</i>,<i>N</i>′-di-<i>n</i>-octylbenzene-1,3-diamine, 4,6-dinitro-<i>N</i>,<i>N</i>′-di-<i>n</i>-undecylbenzene-1,3-diamine and<i>N</i>,<i>N</i>′-bis(2,4-dinitrophenyl)octane-1,8-diamine
  作者：Gary Teng、Christopher P. Walczak、Philip J. Squattrito、Dillip K. Mohanty、William Scharer、Mark R. Giolando、Kristin Kirschbaum

  DOI：10.1107/s0108270109001619

  日期：2009.2.15

  4,6-Dinitro-N,N'-di-n-octylbenzene-1,3-diamine, C22H38N4O4, (I), 4,6-dinitro-N, N'-di-n-undecylbenzene-1,3-diamine, C28H50N4O4, (II), and N, N'-bis(2,4-dinitrophenyl)octane-1,8-diamine, C20H24N6O8, (III), are the first synthetic meta-dinitroarenes functionalized with long-chain aliphatic amine groups to be structurally characterized. The intra-and intermolecular interactions in these model compounds provide information that can be used to help understand the physical properties of corresponding polymers with similar functionalities. Compounds (I) and (II) possess near-mirror symmetry, with the octyl and undecyl chains adopting fully extended anti conformations in the same direction with respect to the ring. Compound (III) rests on a center of inversion that occupies the mid-point of the central C-C bond of the octyl chain. The middle six C atoms of the chain form an anti arrangement, while the remaining two C atoms take hard turns almost perpendicular to the rest of the chain. All three molecules display intramolecular N-H center dot center dot center dot O hydrogen bonds between the amine and nitro groups, with the same NH group forming a bifurcated intermolecular hydrogen bond to the nitro O atom of an adjacent molecule. In each case, these interactions link the molecules into one-dimensional molecular chains. In (I) and (II), these chains pack so that the pendant alkyl groups are interleaved parallel to one another, maximizing non-bonded C-H contacts. In (III), the alkyl groups are more isolated within the molecular chains and the primary non-bonded contacts between the chains appear to involve the nitro groups not involved in the hydrogen bonding.