1-丁氧基-2,5-二甲基苯 | 378787-38-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 1-丁氧基-2,5-二甲基苯
• 英文名称: 1-butoxy-2,5-dimethylbenzene
• 英文别名: 2-butoxy-1,4-dimethylbenzene
• CAS: 378787-38-3
• 化学式: C₁₂H₁₈O
• 分子量: 178.274
• InChiKey: NKNVVOXIRUVDNU-UHFFFAOYSA-N

物化性质

• 沸点：
  249.7±9.0 °C(Predicted)
• 密度：
  0.911±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-丁氧基-2,5-二甲基苯 在 N-溴代丁二酰亚胺(NBS) 、 过氧化氢苯甲酰 作用下， 以 四氯化碳 为溶剂， 生成
  参考文献：
  名称：

  Optical Third Harmonic Generation of Poly(2-Alkoxy-1,4-Phenylenevinylene)'S

  摘要：

  A series of poly (2-alkoxy-1,4-phenylenevinylene)'s was synthesized by water-soluble precursor method. In this paper, three poly(1,4-phenylenevinylene) (PPV) derivatives were included, poly (2-methoxy-1,4-phenylenevinylene), poly(2-butoxy-1,4-phenylenevinylene) and poly (2-dodecyloxy-1,4-phenylenevinylene). These polymers were characterized using UV-visible, FT-IR spectroscopy and DSC, TGA thermal analyzer. The third order nonlinear optical susceptibilities of the polymers were determined using third harmonic generation (THG) method at 1907 nm, fundamental wavelength. Measured chi((3)) values are 10(-11) similar to 10(-12) esu order and as the side chain length is increased, the chi((3)) value is decreased because of the side chain effect on conjugation and of volume fraction.

  DOI：

  10.1080/10587259408039197
• 作为产物：
  描述：

  甲苄基溴 、 正丁醇 在 1-(2-di-tert-butylphosphinophenyl)-2-iso-propylnaphthalene 、 palladium diacetate 、 caesium carbonate 作用下， 以 甲苯 为溶剂， 反应 18.0h， 以80%的产率得到1-丁氧基-2,5-二甲基苯
  参考文献：
  名称：

  使用可调配体允许分子间 Pd 催化的 C-O 键形成

  摘要：

  庞大的联芳基膦配体通过促进还原消除以消除 β-氢化物为代价，促进了 Pd 催化的芳基卤化物与伯醇和仲醇的 CO 偶联反应。它们成功的关键是能够将配体的大小与底物组合的大小相匹配。实现了许多未活化的芳基氯化物和溴化物与环状和非环状仲醇的有效偶联。这包括首次在 Pd 催化的偶联过程中偶联烯丙醇。

  DOI：

  10.1021/ja050471r

文献信息

• Oxalic Diamides and <i>tert</i>-Butoxide: Two Types of Ligands Enabling Practical Access to Alkyl Aryl Ethers via Cu-Catalyzed Coupling Reaction
  作者：Zhixiang Chen、Yongwen Jiang、Li Zhang、Yinlong Guo、Dawei Ma

  DOI：10.1021/jacs.8b12142

  日期：2019.2.27

  A robust and practical protocol for preparing alkyl aryl ethers has been developed, which relies on using two types of ligands to promote Cu-catalyzed alkoxylation of (hetero)aryl halides. The reaction scope is very general for a variety of coupling partners, particularly for challenging secondary alcohols and (hetero)aryl chlorides. In case of coupling with aryl chlorides and bromides, two oxalic

  已经开发了一种用于制备烷基芳基醚的稳健实用的方案，该方案依赖于使用两种类型的配体来促进 Cu 催化的（杂）芳基卤化物的烷氧基化。反应范围非常适用于各种偶联伙伴，尤其是具有挑战性的仲醇和（杂）芳基氯。在与芳基氯化物和溴化物偶联的情况下，两个草酸二酰胺作为强大的配体。叔丁醇首先被证明是铜催化偶联反应的配体，导致芳基碘化物在室温下完成烷氧基化。此外，许多碳水化合物衍生物适用于该偶联反应，以 29-98% 的产率提供相应的碳水化合物-芳基醚。
• [EN] 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS<br/>[FR] COMPOSÉS 2,5-DIALKYL-4-H/HALO/ÉTHER-PHÉNOL
  申请人：TANSNA THERAPEUTICS INC

  公开号：WO2016190871A1

  公开（公告）日：2016-12-01

  The present disclosure provides phenolic compounds useful in the treatment of neurological conditions such as convulsions and tremors, having the structure of Formula (I): wherein R2, R4, R5, & R6, are as defined in the detailed description; pharmaceutical compositions comprising at least one of the compounds; and methods for treating neurological conditions.

  本公开提供了对神经系统疾病如抽搐和震颤有用的酚类化合物，其结构如下式（I）：其中R2、R4、R5和R6如详细描述中所定义；包括至少一种该化合物的药物组合物；以及治疗神经系统疾病的方法。
• A Single Phosphine Ligand Allows Palladium-Catalyzed Intermolecular CO Bond Formation with Secondary and Primary Alcohols
  作者：Xiaoxing Wu、Brett P. Fors、Stephen L. Buchwald

  DOI：10.1002/anie.201104361

  日期：2011.10.10

  Forging a bond: An efficient, general palladium catalyst for CO bond‐forming reactions of secondary and primary alcohols with a range of aryl halides has been developed using the ligand 1. Heteroaryl halides, and for the first time, electron‐rich aryl halides can be coupled with secondary alcohols. A diverse set of substrate combinations are possible with just a single ligand, thus obviating the need

  形成键：使用配体1开发了一种高效、通用的钯催化剂，用于仲醇和伯醇与一系列芳基卤化物的C  O 键形成反应。杂芳基卤化物和富电子芳基卤化物首次可以与仲醇偶联。只需一个配体即可实现多种底物组合，因此无需调查多个配体。
• POLYMER COMPOUND AND COMPOSITION CONTAINING THE SAME
  申请人：Mikami Satoshi

  公开号：US20100033086A1

  公开（公告）日：2010-02-11

  A polymer compound comprising as repeating units an optionally substituted fluorenediyl group and a phenylene group having one or more substituents, and comprising a repeating unit of the following formula (1) and/or a group of the following formula (2): (in the formula (1), Ar 1 and Ar 2 represent an arylene group or di-valent aromatic heterocyclic group, and Ar 1 and may be the same or different.) (in the formula (2), Ar 1 represents the same meaning as described above. Ar 3 represents an aryl group or mono-valent aromatic heterocyclic group.).

  一种聚合物化合物，其重复单元包括一个可选取代的芴基基团和一个具有一个或多个取代基的苯基团，并包括以下式(1)的重复单元和/或以下式(2)的基团： （在式（1）中，Ar1和Ar2表示芳烃基团或双价芳香杂环基团，Ar1和Ar2可以相同或不同。） （在式（2）中，Ar1表示与上述相同的含义。Ar3表示芳基团或单价芳香杂环基团。）
• NOVEL COMPOUNDS WITH HIGH THERAPEUTIC INDEX
  申请人：Chandran V. Ravi

  公开号：US20120289471A1

  公开（公告）日：2012-11-15

  The present invention is directed to novel therapeutic compounds comprised of an amino acid bonded to a medicament or drug having a hydroxy, amino, carboxy or acylating derivative thereon. These high therapeutic index derivatives have the same utility as the drug from which they are made, and they have enhanced pharmacological and pharmaceutical properties. In fact, the novel drug derivatives of the present invention enhance at least one therapeutic quality, as defined herein. The present invention is also directed to pharmaceutical compositions containing same.

  本发明涉及一种新型治疗化合物，其由氨基酸与具有羟基、氨基、羧基或酰化衍生物的药物或药品结合而成。这些高治疗指数的衍生物具有与其制备的药物相同的实用性，并具有增强的药理和制药性能。事实上，本发明的新型药物衍生物至少增强了一种治疗品质，如本文所定义。本发明还涉及含有同样化合物的制药组合物。