4,4'-双(己氧基苯基)甲酮 | 1108157-34-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4,4'-双(己氧基苯基)甲酮
• 中文别名: 双[4-(己氧基)苯基]甲酮；4,4'-二己氧基二苯甲酮
• 英文名称: 4,4’-bis(hexylphenyl)benzophenone
• 英文别名: bis[4-(hexyloxy)phenyl]methanone；4,4’-dihexyloxybenzophenone；4,4'-dihexyloxybenzophenone；Bis(4-hexyloxyphenyl)methanone；bis(4-hexoxyphenyl)methanone
• CAS: 1108157-34-1
• 化学式: C₂₅H₃₄O₃
• 分子量: 382.543
• InChiKey: WTAJUZVRCDEXDL-UHFFFAOYSA-N

物化性质

• 熔点：
  102-105 °C(Solv: acetone (67-64-1))
• 沸点：
  512.0±35.0 °C(Predicted)
• 密度：
  1.005±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.9
• 重原子数：
  28
• 可旋转键数：
  14
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4,4'-双(己氧基苯基)甲酮 在 吡啶 、 2,2'-联吡啶 、 bis(1,5-cyclooctadiene)nickel (0) 、 碘 、 四氯化钛 、 methyloxirane 、 锌 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 、 甲苯 、 苯 为溶剂， 反应 17.0h， 生成
  参考文献：
  名称：

  Enhanced yet Inverted Effects of π-Extension in Self-Assembly of Curved π-Systems with Helicity

  摘要：

  A sextuple helix molecule possessing four cove regions of helicene and two axes of biaryls was synthesized. The entropy-driven self-assembly in solution was determined by concentration- and temperature-dependent NMR spectra, which also revealed unique dynamics of isomerization involving structural changes at the cove regions. Unexpectedly, the assembly retarded the isomerization in solution, and the sextuple helix structure was rigidified.

  DOI：

  10.1021/acs.orglett.7b03534
• 作为产物：
  描述：

  4-乙酰氧基苯甲酸苯酯 在 aluminum (III) chloride 、 ammonium hydroxide 、 四丁基溴化铵 、 potassium carbonate 作用下， 以 二硫化碳 、 丙酮 为溶剂， 反应 57.0h， 生成 4,4'-双(己氧基苯基)甲酮
  参考文献：
  名称：

  一种紫外线吸收剂4,4’－二已氧基二苯甲酮 的合成方法

  摘要：

  本发明公开了一种紫外线吸收剂4,4'－二已氧基二苯甲酮的合成方法，该方法是：以对羟基苯甲酸为起始原料，经乙酰化保护羟基；在氯化锌、三氯氧磷催化下，与苯酚Fredel‑Crafts反应合成制备中间体对羟基苯甲酸苯酯；再经脱乙酰保护基和Fries重排制备中间体4，4－二羟基二苯甲酮；最后与碳酸钾成盐，四丁基溴化铵催化与1－溴已烷通过Williamson反应合成，得到4,4'－二已氧基二苯甲酮产品；本发明具有以下优点：反应条件温和，常压中低温，质量控制稳定；原料转化率高，副反应得到有效抑制；三废少，污染轻，对环境及生产者劳动保护有利。

  公开号：

  CN107129432B

文献信息

• A new family of bent-core <i>C</i>₂-symmetric liquid crystals
  作者：Kyle A. Hope-Ross、Paul A. Heiney、John F. Kadla

  DOI：10.1139/v10-056

  日期：2010.7

  A series of C₂-symmetric compounds with different core sizes and varying lengths and numbers of alkoxy side chains were prepared, and the factors influencing their liquid crystalline mesophase behaviour were investigated. The compounds studied were based on benzophenone, dibenzylidene-acetone, and 1,9-diphenyl-nona-1,3,6,8-tetraen-5-one cores with either 1 or 2 linear alkoxy side chains. The side chains were varied in length from C₆H₁₃ to C₁₂H₂₅. The liquid crystalline mesophase behaviour of the compounds was investigated using differential scanning calorimetry, polarizing optical microscopy, and small-angle X-ray scattering (SAXS). It was found that a number of the molecules were able to self-assemble into smectic and nematic liquid crystalline phases.

  研究人员制备了一系列具有不同核心尺寸、不同长度和数量烷氧基侧链的 C2 对称化合物，并对影响其液晶介相行为的因素进行了研究。所研究的化合物以二苯甲酮、二亚苄基丙酮和 1,9-二苯基-1,3,6,8-四烯-5-酮为核心，带有 1 或 2 条线性烷氧基侧链。侧链的长度从 C6H13 到 C12H25 不等。利用差示扫描量热法、偏振光学显微镜和小角 X 射线散射（SAXS）对这些化合物的液晶介相行为进行了研究。研究发现，一些分子能够自组装成胶粘和向列液晶相。
• Novel fluorescent columnar liquid crystal based on tetraphenylethylene- rufigallol-tetraphenylethylene triads
  作者：Xiaoyi Zhang、Shengjie Jiang、Guoliang Lin、Hongyu Guo、Fafu Yang

  DOI：10.1016/j.molstruc.2021.132210

  日期：2022.3

  mesomorphic behaviors were studied by polarizing optical microscopy, differential scanning calorimetry, and X-ray diffractometry. Investigation of their liquid crystalline behaviors indicated that compounds 7a and 7b possessed the hexagonal columnar mesophase. Compound 7b with dodecyl chains exhibited the low phase transition temperatures and wide range of mesophase temperatures in comparison with compound

  在本文中，以 50% 的产率合成了两种新的四苯基乙烯-rufigallol-四苯基乙烯三联体7a和7b。这些化合物通过质谱、核磁共振光谱和元素分析进行​​表征。通过偏光显微镜、差示扫描量热法和 X 射线衍射法研究了它们的介晶行为。对其液晶行为的研究表明，化合物7a和7b具有六方柱状中间相。与化合物7a相比，具有十二烷基链的化合物7b表现出低的相变温度和宽范围的中间相温度。化合物7a和图7b在H 2 O/THF溶液中表现出优异的聚集诱导发射。这些化合物在固态下的荧光量子产率分别为 22% 和 16%。这项研究的结果表明，对称三聚体是构建新型荧光柱状液晶的好方法。
• Photochemical site-selective synthesis of [70]methanofullerenes
  作者：Sara Vidal、Marta Izquierdo、Wai Kit Law、Kui Jiang、Salvatore Filippone、Josefina Perles、He Yan、Nazario Martín

  DOI：10.1039/c6cc06072b

  日期：——

  Methanofullerenes such as the well-known [70]PCBM are commonly synthesized under harsh conditions to obtain the product as a mixture of site-isomers (namely [small alpha], [small beta] and minor [gamma]) due to the...

  甲基富勒烯例如众所周知的[70] PCBM通常是在苛刻的条件下合成的，从而由于位异构体（即小α，小β和小γ）的混合物而得到产物。 。
• Polymer solar cells based on diphenylmethanofullerenes with reduced sidechain length
  作者：Henk J. Bolink、Eugenio Coronado、Alicia Forment-Aliaga、Martijn Lenes、Andrea La Rosa、Salvatore Filippone、Nazario Martín

  DOI：10.1039/c0jm01160f

  日期：——

  Diphenylmethanofullerenes (DPMs) show interesting properties as acceptors in polymer bulk heterojunction solar cells due to the high open circuit voltages they generate compared to their energy levels. Here we investigate the effect of reducing the alkane sidechain length of the DPMs from C12 to C6 in the properties of the solar cell. This change leads to an increase in the electron mobility, thus allowing for a lower fullerene content, which in turn results in an increase in the short circuit current and, finally, in an increase in the efficiency of the device (from 2.3 to 2.6%) due to the higher concentration of the more absorbing polymer in the film. Atomic force microscopy images and external quantum efficiencies suggest the absence of crystallization of the fullerene to be at the origin of the slightly reduced performance of DPMs versus the standard fullerene [6,6]-phenyl-C61-butyric acid methyl ester, implying that higher efficiencies could be possible with this class of fullerenes.

  二苯基甲烷富勒烯（DPMs）作为聚合物体异质结太阳能电池的受体显示出有趣的特性，因为与它们的能量水平相比，它们能产生很高的开路电压。在此，我们研究了将 DPM 的烷烃侧链长度从 C12 减少到 C6 对太阳能电池性能的影响。这一变化导致电子迁移率增加，从而使富勒烯含量降低，进而导致短路电流增加，最后，由于薄膜中吸收性更强的聚合物浓度提高，设备效率也随之提高（从 2.3% 提高到 2.6%）。原子力显微镜图像和外部量子效率表明，与标准富勒烯[6,6]-苯基-C61-丁酸甲酯相比，DPM 的性能略有下降的原因在于富勒烯没有结晶，这意味着使用这类富勒烯可以实现更高的效率。
• USE OF COMPOUND BINDING TO MSIN3B THAT SPECIFICALLY BINDS TO NEURON RESTRICTIVE SILENCER FACTOR (NRSF)
  申请人：Nishimura Yoshifumi

  公开号：US20130203738A1

  公开（公告）日：2013-08-08

  The present invention identifies a compound which binds to the PAH1 domain of mSin3B that specifically binds to neural restrictive silencer factor NRSF, and uses the compound as a prophylactic and/or a therapeutic for diseases associated with abnormal expression of neural restrictive silencer factor NRSF/REST or abnormal expression of genes targeted by NRSF/REST, such as Huntington's disease, medulloblastoma and neuropathic pain. The present invention provides a pharmaceutical composition comprising a substance capable of binding to the PAH1 domain of mSin3B, e.g., a compound represented by the following formula (I), a pharmacologically acceptable salt thereof, or a pharmacologically acceptable ester thereof: wherein n represents 0 or 1; R 1 , R 2 , R 3 , R 4 and R 5 each independently represent a hydrogen atom, a hydrocarbon group or a functional group; Y represents a single bond, a carbonyl group, —CONH—, —NHCO— or a sulfonyl group; and Z represents a nitrogen-containing heterocyclic group which may have a substituent, an amino group which may have a hydrocarbon group or an aromatic hydrocarbon group, or a nitrogen and oxygen-containing heterocyclic group which may have a substituent.

  本发明鉴定了一种结合mSin3B的PAH1结构域的化合物，该化合物特异性地结合神经限制性沉默因子NRSF，并将该化合物作为预防和/或治疗与神经限制性沉默因子NRSF/REST异常表达或受NRSF/REST靶向的基因异常表达相关的疾病，如亨廷顿病、髓母细胞瘤和神经病理性疼痛。本发明提供了一种制药组合物，包括能够结合mSin3B的PAH1结构域的物质，例如，由以下式（I）表示的化合物，其药理学上可接受的盐或酯：其中n代表0或1；R1、R2、R3、R4和R5各自独立地表示氢原子、碳氢基团或功能基团；Y表示单键、羰基、—CONH—、—NHCO—或磺酰基；Z表示氮杂环基团，该氮杂环基团可以具有取代基，氨基可以具有碳氢基团或芳香碳氢基团，或者氮和氧杂环基团可以具有取代基。