1,3-苯二羰基二氯化,5-(苯基甲氧基)- | 189078-60-2

• 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: 1,3-苯二羰基二氯化,5-(苯基甲氧基)-
• 英文名称: 5-(benzyloxy)-isophthaloyl dichloride
• 英文别名: 5-benzyloxyisophthalic acid chloride；5-benzyloxyisophthaloyl dichloride；5-benzyloxyisophthaloyl chloride；5-Phenylmethoxybenzene-1,3-dicarbonyl chloride
• CAS: 189078-60-2
• 化学式: C₁₅H₁₀Cl₂O₃
• 分子量: 309.149
• InChiKey: BRSQNOZGUZXDEQ-UHFFFAOYSA-N

物化性质

• 沸点：
  443.0±30.0 °C(Predicted)
• 密度：
  1.362±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,3-苯二羰基二氯化,5-(苯基甲氧基)- 在 palladium 10% on activated carbon 、 氢气 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 17.0h， 生成 Bis[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl] 5-hydroxybenzene-1,3-dicarboxylate
  参考文献：
  名称：

  [EN] DENDRITIC MOLECULES, PROCESS FOR THEIR PREPARATION AND USES THEREOF
  [FR] MOLÉCULES DENDRITIQUES, LEUR PROCÉDÉ DE PRÉPARATION ET LEURS UTILISATIONS

  摘要：

  The present invention relates to polyfunctional organic dendritic molecules derived from alkyl phosphonates or esters, to a process for preparing the same and to the use thereof, in particular as drug carriers or contrast agents.

  公开号：

  WO2023198813A1
• 作为产物：
  描述：

  氯化苄 在 氯化亚砜 、 potassium carbonate 、 N,N-二甲基甲酰胺 、 potassium hydroxide 作用下， 以 甲醇 、 丙酮 、 乙腈 为溶剂， 反应 8.5h， 生成 1,3-苯二羰基二氯化,5-(苯基甲氧基)-
  参考文献：
  名称：

  Rotaxanes from Tetralactams

  摘要：

  Attempts to incorporate a tetralactam (3a) into a side-chain polyrotaxane by formation of its complex with p-tritylphenolate and reaction with poly(vinybenzyl chloride) failed, probably due to steric hindrance. However, three new small molecule model rotaxanes (acetal ha and ethers 14a and 14b) were prepared based on this macrocycle, and one (14b) was characterized by X-ray crystallography. Attempts to prepare poly(ether rotaxane)s such as 18 and 20b via polymerizations in the presence of this tetralactam failed because the mild conditions required for complexation (nonpolar solvent, room temperature) are not sufficient for effective step-growth polymerizations, resulting in only oligomer formation. In an alternative approach, clipping of the tetralactam 23 onto a preformed poly(urethane rotaxane) (27) in CH2Cl2 was successful, and the original biphasic segmented polymer was converted to a single-phase polyrotaxane (28) with a significantly lower glass transition temperature.

  DOI：

  10.1021/ma202373x

文献信息

• Molecular Factors Responsible for the Formation of the Axially Polar Columnar Mesophase ColhPA
  作者：Joanna Matraszek、Jozef Mieczkowski、Damian Pociecha、Ewa Gorecka、Bertrand Donnio、Daniel Guillon

  DOI：10.1002/chem.200601192

  日期：2007.4.16

  of hexacatenar bent-shape molecules has been systematically modified in order to determine the main molecular factors responsible for the appearance of the axially polar columnar mesophase. It was found that the stability of the polar phase is very sensitive to the subtle modifications of the molecular shape: the phase is solely preserved if the modification is made at the terminal parts of the mesogenic

  为了确定引起轴向极性柱状中间相出现的主要分子因素，已对六邻苯二酚弯曲形分子的结构进行了系统性的修饰。发现极性相的稳定性对分子形状的细微修饰非常敏感：如果在介晶核的末端部分进行修饰，则仅保留该相，而任何其他修饰都会使相不稳定。可以得出结论，驱动平的超分子盘制成的相与圆锥形单元制成的轴向极性相之间过渡的主要因素是满足紧密堆积条件的能力，以消除相邻分子刚性核之间的空隙。
• Zwitterionic Guanidinium Compounds Serve as Electroneutral Anion Hosts
  作者：Michael Berger、Franz P. Schmidtchen

  DOI：10.1021/ja992028k

  日期：1999.11.1

  site suitable for strong interaction with negatively charged guests. An anionic moiety balancing the overall host charge to zero is incorporated in a way to prevent collapsing into an ion pair. Using bicyclic guanidinium anchor groups for direct guest binding and a closo-borane cluster as an anionic countercharge the ditopic zwitterionic host 17 was designed and prepared in a convergent synthetic scheme

  人工受体在溶剂化相中的阴离子络合需要通过相互的超分子相互作用完全或至少部分替代它们的溶剂化壳。补充依赖净静电荷或广泛的氢键进行客体络合的众所周知的方法，目前的工作重点是主体中电荷分离的替代概念，以创建适合与带负电荷的客体强相互作用的阳离子位点。以一种防止塌陷成离子对的方式并入阴离子部分，该部分将总体主体电荷平衡为零。使用双环胍锚定基团直接结合客体，并使用环硼烷簇作为阴离子反电荷，以收敛合成方案设计和制备双位两性离子主体 17。
• A novel strapped porphyrin receptor for molecular recognition
  作者：Xue-Bin Shao、Xi-Kui Jiang、Xiao-Zhong Wang、Zhan-Ting Li、Shi-Zheng Zhu

  DOI：10.1016/s0040-4020(03)00702-6

  日期：2003.6

  interactions in complex Zn1·22 was observed by comparing the complexing behaviors between Zn1 and the appropriately designed guests. Complex Zn1·22 possesses an unique three-dimensional tri-site binding feature. For comparison, the complexing affinity of 1 toward compounds 13, 19, and 30 in chloroform-d and 35·4PF6 in acetone-d6 has also been investigated and the binding patterns in different complexes were explored

  从新开发的中间体7设计并合成了新型带状卟啉受体Zn1，其中结合了两个富电子的双（对-亚苯基）-34-冠醚-10单元，用于研究分子识别的新化学。1 H NMR和UV-Vis研究表明，Zn1与中性电子缺陷的萘-1,8,4,5-四羧基二酰亚胺（NDI）衍生物13（没有观察到简单的络合化学计量），19（K a = 48（±5）M -1）和30（K a = 46（±5）M在氯仿-d中为-1，与吡啶衍生物25的结合力强，在氯仿中（K a = 1.5（±0.12）×10 3  M -1），对四阳离子化合物35 ·4PF 6（K a =丙酮-d 6中的475（±50）M -1，与化合物22的结合力非常强（K a = 6.5（±0.7）×10 5  M -1，由一个吡啶和两个NDI单元组成，呈氯仿形式。通过比较Zn1和适当设计的客体之间的络合行为，观察到了复杂Zn1 · 22中分子间金属-配体配位和供体-受体相互作用的显着协同作用。配合物Zn1
• OPTICAL-ISOMER SEPARATING AGENT FOR CHROMATOGRAPHY AND PROCESS FOR PRODUCING THE SAME
  申请人：Ema Tadashi

  公开号：US20100292464A1

  公开（公告）日：2010-11-18

  A novel optical-isomer separating agent for chromatography is provided which has, as a chiral selector, a macrocyclic amide compound having the ability to function as a chiral shift agent. The optical-isomer separating agent for chromatography is formed by bonding, with a carrier by chemical bonding, a specific ring structure containing an asymmetry recognition site, an amide group as a hydrogen-bond donor site, and a hydrogen-bond acceptor site.

  提供一种新型的色谱光学异构体分离剂，其具有作为手性选择剂的大环酰胺化合物，具有作为手性移位剂的功能。该色谱光学异构体分离剂通过在载体上进行化学键合，形成了一个包含不对称识别位点、作为氢键给体位点的酰胺基团和氢键受体位点的特定环结构。
• Controllable self-assemblies of micro/nano-tubes and vesicles from arylamides and their applications as templates to fabricate Pt micro/nano-tubes and hollow Pt nanospheres
  作者：Yun-Xiang Xu、Gui-Tao Wang、Xin Zhao、Xi-Kui Jiang、Zhan-Ting Li

  DOI：10.1039/b917576h

  日期：——

  A novel class of nonamphiphilic aromatic amides (T1–T3) have been designed and synthesized from naphthalene-2,7-diamine or 2-amino-naphthalene and a 5-hydroxy-isophthalic acid segment, which is revealed to selectively assemble into vesicular or tubular architectures, depending on the solvents and concentrations. T1 and T2 form vesicles in methanol, but can be converted into micro/nano-tubes when water

  新型的非两亲性芳香酰胺（T1-T3）已被设计和合成。萘-2,7-二胺 要么 2-氨基萘 和一个 5-羟基间苯二甲酸片段，根据溶剂和浓度的不同，可以选择性地组装成水泡或管状结构。T1和T2在甲醇，但在以下情况下可以转换为微型/纳米管 水当浓度足够高时，将其加入并进一步凝胶化二元溶剂。相比之下，T3自组装成细小的管状结构甲醇，但稀释或添加后可转化为囊泡 氯仿。通过SEM，AFM，TEM和荧光显微镜研究了形态转变，这也揭示了大尺寸的微管是通过小尺寸囊泡的融合形成的，而小囊泡的融合是由协同作用驱动的。氢X射线对T3类似物的研究证明，它们之间存在键合和芳族堆积相互作用。新型有机微/纳米管和囊泡还用于模板化制备铂 微型/纳米管或空心 铂球通过原位还原的吸收ķ 2氯铂酸4与抗坏血酸由SEM，TEM和EDX分析证实。