3,4,5-tri(n-butyloxy)benzoyl chloride | 102657-75-0

• 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: 3,4,5-tri(n-butyloxy)benzoyl chloride
• 英文别名: 3,4,5-tris(n-butan-1-yloxy)benzoyl chloride；3,4,5-tri(butyloxy)benzoyl chloride；3,4,5-tributoxy-benzoyl chloride；3,4,5-Tributoxybenzoyl chloride
• CAS: 102657-75-0
• 化学式: C₁₉H₂₉ClO₄
• 分子量: 356.89
• InChiKey: AKHBICDFSHSUCI-UHFFFAOYSA-N

物化性质

• 沸点：
  455.5±40.0 °C(Predicted)
• 密度：
  1.060±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  24
• 可旋转键数：
  13
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3,4,5-tri(n-butyloxy)benzoyl chloride 在 盐酸 、 三乙胺 、 magnesium chloride 作用下， 以 四氢呋喃 为溶剂， 生成 ethyl 3,4,5-tri(n-butyloxy)benzoylacetate
  参考文献：
  名称：

  Covalent Fixation of the Cyclic Tetramer of a Metallo-porphyrin Based on Self-complementary Quadruple Hydrogen Bonding

  摘要：

  研究了共价固定前后金属卟啉环状四聚体中四重氢键的稳定性。根据竞争和能量转移实验，共价固定完全抑制了金属卟啉环状四聚体之间的交换反应。这种基于烯烃复分解反应的自发环化-共价固定策略为在固相中使用环状组合物开辟了道路。

  DOI：

  10.1246/cl.2006.1076
• 作为产物：
  描述：

  没食子酸甲酯 在 氢氧化钾 、 氯化亚砜 、 水 、 potassium carbonate 、 N,N-二甲基甲酰胺 作用下， 以 乙醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 11.0h， 生成 3,4,5-tri(n-butyloxy)benzoyl chloride
  参考文献：
  名称：

  Coassembly of a Hexagonal Columnar Liquid Crystalline Superlattice from Polymer(s) Coated with a Three-Cylindrical Bundle Supramolecular Dendrimer

  摘要：

  The synthesis and structural analysis of a polymer containing twin-dendritic benzamide side-groups (i.e. poly(N-[3,4-bis(n-dodecan-1-yloxy)-5-(1-methacryloyl-n-undecan-1-yloxy)phenyl] -3,4,5-tris (n-dodecan-1-yloxy)benzamide)) (19) are described. The disc-like side groups of this polymer self-assemble into supramolecular cylindrical dendrimers through hydrogen bonding acting along the column long axis, creating a novel architecture consisting of a polymer chain(s) coated with a three-cylindrical bundle supramolecular dendrimer. This polymer self-organizes in a thermotropic nematic liquid crystalline (LC) phase. The low molar mass twin dendritic benzamide, 7-12/12, which has a similar structure to that of the polymer side groups, self-assembles into supramolecular cylindrical dendrimers, which self-organize on a two-dimensional hexagonal columnar (Phi(h)) LC lattice. Coassembly of the polymer 19 with 7-12/12 produces a novel two-dimensional Phi(h) LC superlattice. The mechanism responsible for this coassembly provides access to libraries of functional two-dimensionl Phi(h) superlattices.

  DOI：

  10.1002/(sici)1521-3765(19990301)5:3<1070::aid-chem1070>3.0.co;2-9

文献信息

• ARYLOYL(OXY OR AMINO)PENTAFLUOROSULFANYLBENZENE COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PRODRUGS THEREOF
  申请人：UBE INDUSTRIES, LTD.

  公开号：US20160244407A1

  公开（公告）日：2016-08-25

  An aryloyl(oxy or amino)pentafluorosulfanylbenzene compound having pharmacological action. The aryloyl(oxy or amino)pentafluorosulfanylbenzene compound is represented by general formula (A-I), a pharmaceutically acceptable salt thereof, and a prodrug thereof, wherein all of parameters represent the same meanings as defined in the specification.

  一种具有药理作用的芳基酰氧或氨基五氟磺基苯化合物。该芳基酰氧或氨基五氟磺基苯化合物由通用式(A-I)表示，其药用可接受的盐和前药，其中所有参数的含义与规范中定义的相同。
• Microwave-assisted Synthesis, Structure, and Tunable Liquid-Crystal Properties of 2,5-Diaryl-1,3,4-Thiadiazole Derivatives through Peripheral<i>n</i>-Alkoxy Chains
  作者：Jie Han、Xiao-Yong Chang、Li-Rong Zhu、Mei-Li Pang、Ji-Ben Meng、Stephen Sin-Yin Chui、Siu-Wai Lai、V. A. L. Roy

  DOI：10.1002/asia.200800440

  日期：2009.7.6

  Chain change: Variations in the position, number, and chain length of the n‐alkoxy chains readily tune the liquid‐crystalline properties of 2,5‐diaryl‐1,3,4‐thiadiazole derivatives from smectic to hexagonal columnar mesophases at room temperature. The calamitic S‐heterocyclic compounds show electrical conductivity in both solid and liquid‐crystal states.

  链变化：在室温下，正烷氧基链的位置，数量和链长的变化可轻松调节2,5-二芳基-1,3,4-噻二唑衍生物的液晶性质，从近晶到六方柱状中间相。cal族S杂环化合物在固态和液晶态下均显示出导电性。
• Structure–property relationship in charge transporting behaviour of room temperature liquid crystalline perylenebisimides
  作者：K. P. Prajitha、S. Chithiravel、K. Krishnamoorthy、S. K. Asha

  DOI：10.1039/c4tc01806k

  日期：——

  A homologous series of pentadecyl phenol functionalized perylenebisimide (PBI) terminated with trialkoxy gallate esters was synthesized, where the terminal alkyl chain length was varied from n = 4 to 12 (PBI-En). The thermotropic liquid crystalline (LC) characteristics of the molecules were analyzed using differential scanning calorimetry (DSC), polarized light microscopy (PLM) combined with variable temperature wide angle X-ray diffraction (WXRD) techniques. A clear odd–even oscillation was observed in the melting as well as isotropization enthalpies as a function of alkyl spacer length in the terminal gallate unit, with the even spacers exhibiting higher values. The higher members of the series with n > 8 exhibited thermotropic liquid crystalline textures in the PLM, which remained stable until room temperature. The nature of the LC phase was identified to be columnar rectangular and columnar hexagonal based on detailed analysis of the WXRD pattern recorded in the LC phase. The WXRD pattern of the room temperature LC frozen samples indicated a nearly constant intra columnar stack distance of ∼3.7 Å for all the members. The space-charge-limited current (SCLC) values of the LC frozen sample films were analyzed for dependence of the bulk mobility estimate on the nature of the LC phase. The columnar hexagonal phase exhibited a mobility value one order (10−3 cm2 V−1 s−1) higher than that of crystalline (10−4 cm2 V−1 s−1) and two orders higher than that of columnar rectangular phase (10−5 cm2 V−1 s−1), indicating a strong dependence of packing on bulk mobility.

  我们合成了以三烷氧基没食子酸酯为端基的同源系列十五烷基酚官能化过二亚胺（PBI），其末端烷基链长度从 n = 4 到 12 不等（PBI-En）。利用差示扫描量热法（DSC）、偏光显微镜（PLM）和变温广角 X 射线衍射（WXRD）技术分析了分子的热致液晶（LC）特性。在熔化焓和异方化焓中观察到了明显的奇偶振荡，这是没食子酸酯末端单元中烷基间隔长度的函数，偶数间隔的数值更高。在 PLM 中，n > 8 的较高系列成员表现出热致液晶质地，这种质地在室温下保持稳定。根据对液晶相中记录的 WXRD 图样的详细分析，确定了液晶相的性质为柱状矩形和柱状六方。室温下冷冻低浓相样品的 WXRD 图样表明，所有成员的柱状堆栈内距离几乎恒定为±3.7 Ã。分析了低浓冷冻样品薄膜的空间电荷限制电流（SCLC）值，以了解体迁移率估计值与低浓相性质的关系。柱状六方相的迁移率值（10â3 cm2 Vâ1 sâ1）比晶体相的迁移率值（10â4 cm2 Vâ1 sâ1）高一个数量级，比柱状矩形相的迁移率值（10â5 cm2 Vâ1 sâ1）高两个数量级，这表明填料对体积迁移率有很强的依赖性。
• Polyphenol Proteasome Inhibitors, Synthesis, and Methods of Use
  申请人：DOU Q. Ping

  公开号：US20120029067A1

  公开（公告）日：2012-02-02

  The present invention relates to synthetic green tea derived polyphenolic compounds, their modes of syntheses, and their use in inhibiting proteasomal activity and in treating cancers. The present invention is also directed to pharmaceutical compositions useful in methods of inhibiting proteasomes and of treating cancers.

  本发明涉及合成的绿茶多酚类化合物，它们的合成方式以及它们在抑制蛋白酶体活性和治疗癌症方面的应用。本发明还涉及制药组合物，用于抑制蛋白酶体和治疗癌症的方法。
• Polyphenol proteasome inhibitors, synthesis, and methods of use
  申请人：Dou Q. Ping

  公开号：US20100173985A1

  公开（公告）日：2010-07-08

  The present invention relates to synthetic green tea derived polyphenolic compounds, their modes of syntheses, and their use in inhibiting proteasomal activity and in treating cancers. The present invention is also directed to pharmaceutical compositions useful in methods of inhibiting proteasomes and of treating cancers.

  本发明涉及合成的绿茶多酚化合物、它们的合成方式以及它们在抑制蛋白酶体活性和治疗癌症方面的应用。本发明还涉及制药组合物，用于抑制蛋白酶体和治疗癌症的方法。