3,5-二甲基苯乙醚 | 18102-49-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 3,5-二甲基苯乙醚
• 英文名称: 1-ethoxy-3,5-dimethylbenzene
• 英文别名: 1-Ethoxy-3,5-dimethyl-benzol；3,5-dimethyl-phenetole；Aethyl-symm.-m-xylenyl-aether；3,5-Dimethyl-phenetol；Aethyl-(3.5-dimethyl-phenyl)-aether；5-Aethoxy-1.3-dimethyl-benzol；symm.-m-Xylenol-aethylaether；5-Aethoxy-m-xylol
• CAS: 18102-49-3
• 化学式: C₁₀H₁₄O
• mdl: MFCD00091520
• 分子量: 150.221
• InChiKey: UKLRDAUECUCSDK-UHFFFAOYSA-N

物化性质

• 沸点：
  220.5±9.0 °C(Predicted)
• 密度：
  0.924±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 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：

  3,5-二甲基苯乙醚 生成 4-(2-ethoxy-4,6-dimethyl-phenyl)-4-oxo-trans-crotonic acid
  参考文献：
  名称：

  Baddeley et al., Journal of the Chemical Society, 1953, p. 3969

  摘要：

  DOI：
• 作为产物：
  描述：

  (2-ethoxy-4,6-dimethyl-phenyl)-glyoxylic acid 生成 3,5-二甲基苯乙醚
  参考文献：
  名称：

  v. Auwers; Herbener, Journal fur praktische Chemie (Leipzig 1954), 1926, vol. <2> 114, p. 333

  摘要：

  DOI：

文献信息

• Synthese und Isolierung von E,Z-atropisomeren substituierten cis-Bis(phenyl)bis(ligand)platin(II)-Verbindungen
  作者：Reinhard Baumgärtner、Günther Schmidtberg、Hans-Albert Brune

  DOI：10.1016/0022-328x(88)80251-1

  日期：1988.5

  The syntheses of cis-bis(phenyl)platinum(II) compounds with substituents of increasing Van der Waals volumes in the ortho-positions of the phenyl rings are reported. The existence of E,Z-atropisomers with respect to the torsion about the platinumcarbon σ-bonds in these compounds is demonstrated NMR-spectroscopically. the E,Z-diastereoisomers of bis(2-t-butoxymethyl-6-methyl-phenyl)[P,P′-η2-1,2-bi

  报道了在苯环的邻位具有增加的范德华体积的取代基的顺式-双（苯基）铂（II）化合物的合成。用NMR光谱法证实了这些化合物中E，Z-阻转异构体相对于关于铂is碳σ键的扭转的存在。的E，Z双（2-叔丁氧基甲基-6-甲基-苯基）[的-diastereoisomers P，P' -η 2 -1,2-双（二苯基膦基）乙烷]铂（II）已被分离并隔绝在制备规模。
• General, Mild, and Intermolecular Ullmann-Type Synthesis of Diaryl and Alkyl Aryl Ethers Catalyzed by Diol−Copper(I) Complex
  作者：Ajay B. Naidu、E. A. Jaseer、Govindasamy Sekar

  DOI：10.1021/jo900438e

  日期：2009.5.15

  A wide range of diaryl ethers and alkyl aryl ethers are synthesized through intermolecular C(aryl)−O bond formation from the corresponding aryl iodides/aryl bromides and phenols/alcohols through Ullmann-type coupling reaction in the presence of a catalytic amount of easily available (±)-diol L3-CuI complex under very mild reaction conditions. Less reactive aryl bromides can also be used for O-arylation

  各种二芳基醚和烷基芳基醚是通过分子间的C（芳基）-O键形成的，它们由相应的芳基碘化物/芳基溴化物和酚/醇通过Ullmann型偶联反应在催化量的易得条件下形成（±）-二醇L3- CuI络合物在非常温和的反应条件下发生。较低反应性的芳基溴化物也可用于ø的相同反应条件下苯酚的-arylation而不增加反应温度，催化剂负载量，和时间。该催化体系不仅能够偶联受阻的底物，而且能够耐受一系列官能团。
• New Oxidative Aromatization of α,β-Unsaturated Cyclohexenones with Iodine–Cerium(IV) Ammonium Nitrate in Alcohol
  作者：C. Akira Horiuchi、Hirotada Fukunishi、Mika Kajita、Akihisa Yamaguchi、Hiroshi Kiyomiya、Shinji Kiji

  DOI：10.1246/cl.1991.1921

  日期：1991.11

  (methanol, ethanol, 1-propanol, 2-propanol, and 1-butanol) under refluxing, gave the corresponding alkyl phenyl ethers in good yields. In the case of diol (ethylene glycol, 1,3-propanediol, and 1,4-butanediol), phenoxyalkanol derivatives were obtained. The present method was also applicable to oxidative rearrangement of isophorone.

  2-环己烯-1-酮衍生物与碘-铈（IV）硝酸铵在醇（甲醇、乙醇、1-丙醇、2-丙醇和1-丁醇）中回流反应，得到相应的烷基苯基醚良好的收益。在二醇（乙二醇、1,3-丙二醇和1,4-丁二醇）的情况下，获得苯氧基链烷醇衍生物。本方法也适用于异佛尔酮的氧化重排。
• 8-AZAPROSTAGLANDIN DERIVATIVE COMPOUND AND AGENT COMPRISING THE COMPOUND AS ACTIVE INGREDIENT
  申请人：TANI Kousuke

  公开号：US20090042885A1

  公开（公告）日：2009-02-12

  An 8-azaprostaglandin represented by formula (I) (wherein all symbols have the same meanings as described in the specification), a pharmaceutically acceptable salt thereof or a cyclodextrin clathrate thereof. Since the compound represented by formula (I) binds to EP2 subtype among PGE receptor strongly, it is useful for preventive and/or treatment for immune diseases, allergic diseases, neuronal cell death, dysmenorrhea, premature birth, abortion, baldness, retinal neuropathy such as glaucoma, erectile dysfunction, arthritis, pulmonary injury, pulmonary fibrosis, pulmonary emphysema, bronchitis, chronic obstructive pulmonary disease, hepatic injury, acute hepatitis, liver cirrhosis, shock, nephritis, renal failure, circulatory diseases, systemic inflammatory response syndrome, sepsis, hemophagocytosis syndrome, macrophage activation syndrome, still disease, Kawasaki Disease, burn, systemic granuloma, ulcerative colitis, Crohn disease, hypercytokinemia at dialysis, multiple organ failure, or bone diseases etc.

  式（I）所表示的8-氮代前列腺素化合物（其中所有符号的含义与说明书中描述的相同），其药学上可接受的盐或环糊精包合物。由于式（I）所表示的化合物强烈结合到PGE受体中的EP2亚型，因此它对预防和/或治疗免疫性疾病、过敏性疾病、神经元细胞死亡、痛经、早产、流产、脱发、青光眼等视网膜神经病变、勃起功能障碍、关节炎、肺损伤、肺纤维化、肺气肿、支气管炎、慢性阻塞性肺疾病、肝损伤、急性肝炎、肝硬化、休克、肾炎、肾衰竭、循环系统疾病、全身炎症反应综合征、败血症、吞噬细胞综合征、巨噬细胞活化综合征、斯蒂尔病、川崎病、烧伤、全身性肉芽肿、溃疡性结肠炎、克罗恩病、透析时的高细胞因子血症、多器官功能障碍或骨疾病等方面具有用处。
• 3-SUBSTITUTED-6-ARYL PYRIDINES
  申请人：Hutchinson Alan J.

  公开号：US20110281837A1

  公开（公告）日：2011-11-17

  3-substituted-6-aryl pyridines of Formula I are provided: wherein R 1 , R 2 , R 3 , R 8 , R 9 , A and Ar are defined herein. Such compounds are ligands of C5a receptors. Preferred compounds of Formula I bind to C5a receptors with high affinity and exhibit neutral antagonist or inverse agonist activity at C5a receptors. The present invention also relates to pharmaceutical compositions comprising such compounds, and to the use of such compounds in treating a variety of inflammatory, cardiovascular, and immune system disorders. In addition, the present invention provides labeled 3-substituted-6-aryl pyridines, which are useful as probes for the localization of C5a receptors.

  本发明提供了式I的3-取代-6-芳基吡啶化合物：其中R1、R2、R3、R8、R9、A和Ar的定义在此处。这些化合物是C5a受体的配体。式I的优选化合物具有高亲和力结合到C5a受体，并在C5a受体上表现出中性拮抗剂或反向激动剂活性。本发明还涉及包含这些化合物的制药组合物，以及将这些化合物用于治疗各种炎症、心血管和免疫系统疾病的用途。此外，本发明提供了标记的3-取代-6-芳基吡啶，可用作C5a受体定位的探针。