4-(4-nitrophenoxy)butan-1-ol | 60222-69-7

• 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-(4-nitrophenoxy)butan-1-ol
• 英文别名: 4-(4-nitrophenoxy)butanol；(c)-1-(4-Nitrophenoxy)butan-4-ol；4-(p-Nitrophenoxy)-butanol
• CAS: 60222-69-7
• 化学式: C₁₀H₁₃NO₄
• 分子量: 211.218
• InChiKey: CEKANDSBJREDEN-UHFFFAOYSA-N

物化性质

• 熔点：
  71 °C(Solv: ethanol (64-17-5))
• 沸点：
  380.6±22.0 °C(Predicted)
• 密度：
  1.225±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  75.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(4-nitrophenoxy)butan-1-ol 在 氯磺酸 、 sodium carbonate 作用下， 以 乙醚 为溶剂， 反应 1.0h， 以80%的产率得到sodium 4-(4-nitrophenoxy)butyl sulfate
  参考文献：
  名称：

  Molecular Rulers:  New Families of Molecules for Measuring Interfacial Widths

  摘要：

  Homologous series of solvatochromic neutral alcohols and ionic sulfates are synthesized and characterized. Each surfactant series consists of hydrophobic, p-nitroanisole-based chromophores attached to polar or ionic headgroups by n-alkyl spacers. UV absorption measurements show that the optical properties of surfactant chromophores closely track those of the parent chromophore. Interfacial tension measurements are used to calculate surface excess concentrations of ionic surfactants adsorbed to an aqueous-cyclohexane interface. With a hydrophobic chromophore, a hydrophilic headgroup, and a variable-length, alkyl spacer, these surfactants have the potential to function as molecular rulers: probes of molecular-scale variation in solvation forces across condensed-phase interfaces. Changing the separation between the hydrophobic, solvatochromic probe and the hydrophilic headgroup should enable different members of a homologous series to span different interfacial widths, thus exposing the chromophore to different chemical environments. This idea is explored by using surface-specific, nonlinear optical spectroscopy, Resonant second harmonic spectra of p-nitroanisole and the surfactant product 4a adsorbed to an aqueous-cyclohexane interface show the surfactant spectrum blue-shifted 9 nm relative to the spectrum of adsorbed p-nitroanisole. On the basis of chromophore solvatochromism, these results are consistent with a less polar environment surrounding the surfactant chromophore. Significant differences in interfacial solvation resulting from a similar to5 Angstrom separation between the surfactant headgroup and chromophore support recently proposed models of molecularly sharp, microscopically flat aqueous-alkane interfaces.

  DOI：

  10.1021/ja012457u
• 作为产物：
  描述：

  1,4-丁二醇 、 对氟硝基苯 生成 4-(4-nitrophenoxy)butan-1-ol
  参考文献：
  名称：

  弱缔合界面的溶剂极性

  摘要：

  分子尺表面活性剂，溶剂极性的溶剂致变色探针，已被用于检查溶剂极性在弱缔合液/液界面上的变化。水/烷烃界面在含水亚相和环状（环己烷和甲基环己烷）或线性（辛烷和十六烷）烷烃之间形成。共振增强的二次谐波产生用于收集吸附到这些界面的物质的有效激发光谱。随着表面活性剂的延长，表面活性剂探针对越来越非极性的环境进行采样，激发波长向烷烃极限移动就证明了这一点。数据表明所有四个水/烷烃界面都是分子锐利的（<9 A），但是溶剂分子结构的差异改变了界面上从水溶剂化到有机溶剂化的转变。两个界面（环己烷和十六烷）的极性随着标尺表面活性剂跨越的距离逐渐变化。相比之下，过渡...

  DOI：

  10.1021/jp0498318

文献信息

• 신규 파조파닙 유도체 및 이를 함유하는 약학조성물
  申请人：CHUNG ANG University industry Academic Cooperation Foundation 중앙대학교 산학협력단(220040385305) BRN ▼108-82-05979

  公开号：KR20160147170A

  公开（公告）日：2016-12-22

  본 발명은 혈관신생 억제 활성 및 상피세포성장인자 억제 활성을 동시에 갖는 신규 파조파닙 유도체 또는 그의 염과, 이를 유효성분으로 함유하는 약학조성물에 관한 것으로서, 상기 파조파닙 유도체는 파조파닙과 달리 혈관신생 억제 활성 외 상피세포성장인자를 억제하는 활성을 동시에 갖고 있어 다표적 타겟을 통해 보다 효과적으로 폐암, 결장암 또는 유방암과 같은 EGFR 관련 암질환을 치료하고 예방할 수 있으며 특히 이레사나 타세바가 효과를 발휘하지 못하는 비소세포성 폐암을 효과적으로 치료하고 예방할 수 있다.

  本发明涉及一种具有血管新生抑制活性和上皮细胞生长因子抑制活性的新型帕约帕尼诱导体或其盐，以及包含其作为有效成分的药学组合物，所述帕约帕尼诱导体与帕约帕尼不同，同时具有抑制血管新生活性和上皮细胞生长因子的活性，可通过多种靶点更有效地治疗和预防EGFR相关癌症，如肺癌、结肠癌或乳腺癌，特别是对于厄洛替尼或塔塞瑞不能发挥作用的非小细胞肺癌，可以有效地进行治疗和预防。
• 一种含偶氮苯结构的引发剂单体的制备方法
  申请人：常州大学

  公开号：CN105732417B

  公开（公告）日：2017-08-01

  本发明公开了一种偶氮苯化合物及其合成方法。技术方案首先是以4‑硝基苯酚、卤代醇和氢氧化钾为原料合成对硝基苯氧醇；对硝基苯氧醇与铁粉，氯化铵反应得到对氨基苯氧醇；再通过典型的重氮偶合反应得到固体产物4‑丙烯酸(N‑甲基氨基)乙醇脂基‑4’‑氧乙醇基‑偶氮苯，最后以上产物与2‑溴代异丁酰溴，三乙胺反应得到最终产物4‑丙烯酸(N‑甲基氨基)乙醇酯基‑4，‑溴代异丁酸醇酯基‑偶氮苯，洗涤、真空干燥。本发明的偶氮化合物既含有偶氮苯光致变色基团同时含有碳碳双键、活泼末端溴原子。可作为自引发单体原子转移自由基聚(ATRP)法合成含功能性偶氮苯结构的支化聚合物，具有潜在应用光响应聚合物。
• Star mesogens — Synthesis and structural characterization using 1D and 2D solution NMR techniques and mesophase characterization
  作者：A. Shanavas、T. Narasimhaswamy、B.V.N. Phani Kumar、A. Sultan Nasar

  DOI：10.1139/cjc-2012-0165

  日期：2013.3

  Novel star mesogens based on trimesic acid and symmetrical side arm cores with terminal alkoxy groups were synthesized via a divergent approach. The central core and side arms were connected through alkyl spacers. All the synthesized mesogens and their intermediates were characterized thoroughly using Fourier transform infrared (FT-IR), ¹H nuclear magnetic resonance (NMR), ¹³C NMR, and mass spectrometers. One representative mesogen was subjected to the two-dimensional (2D) NMR experiments to ascertain the structure of the mesogens. The mesophase characterization was carried out using hot-stage optical polarizing microscopy (HOPM), differential scanning calorimetry (DSC), and X-ray diffraction (XRD) techniques. Many of the molecules with an ethyloxy spacer were found to be nonmesogenic, whereas all the molecules with a butyloxy spacer showed liquid crystalline phases. The increase of terminal chain length decreased the transition temperatures. The nematic phase was observed for the mesogens with short terminal chain length, whereas smectic polymorphism was observed on increasing the terminal chain length. The results of a variable temperature powder X-ray diffraction of the representative sample support the smectic layer ordering.

  基于三苯甲酸和对称侧链核心的新型星形介晶体通过分歧方法合成。中心核心和侧链通过烷基间隔连接。所有合成的介晶体及其中间体均经过傅里叶变换红外（FT-IR）、¹H核磁共振（NMR）、¹³C NMR和质谱仪进行了彻底表征。其中一种代表性介晶体经过二维（2D）NMR实验以确定介晶体的结构。介晶体的相态表征使用热台光学偏振显微镜（HOPM）、差示扫描量热法（DSC）和X射线衍射（XRD）技术进行。发现具有乙氧基间隔的许多分子是非介晶体的，而所有具有丁氧基间隔的分子均显示液晶相。末端链长度的增加降低了转变温度。介晶体的短末端链长度观察到向列相，而增加末端链长度观察到液晶多态性。代表性样品的可变温度粉末X射线衍射结果支持向列层次有序。
• Drug-Polymer Conjugates
  申请人：Wu I. Laurence

  公开号：US20070185135A1

  公开（公告）日：2007-08-09

  This invention relates to a polypeptide-polymer conjugate that includes a polypeptide moiety, a polyalkylene oxide moiety, a linker connecting the polypeptide moiety with the polyalkylene oxide moiety, a first linkage between the polypeptide moiety and the linker, and a second linkage between the polyalkylene oxide moiety and the linker.

  本发明涉及一种多肽-聚合物结合物，包括多肽基团、聚烯烃氧基团、连接多肽基团和聚烯烃氧基团的连接体、连接多肽基团和连接体的第一连接以及连接聚烯烃氧基团和连接体的第二连接。
• WO2007/79404
  申请人：——

  公开号：——

  公开（公告）日：——