4-氯-3,5-二甲基-苯乙醚 | 23399-89-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 4-氯-3,5-二甲基-苯乙醚
• 英文名称: 5-(2-ethoxy)-2-chloro-1,3-dimethylbenzene
• 英文别名: 4-chloro-3,5-dimethyl-phenetole；Aethyl-(4-chlor-3.5-dimethyl-phenyl)-aether；2-Chlor-5-aethoxy-m-xylol；4-Chlor-3,5-dimethyl-phenetol；3,5-Dimethyl-4-chlor-phenetol；Phenetole, 4-chloro-3,5-dimethyl-；2-chloro-5-ethoxy-1,3-dimethylbenzene
• CAS: 23399-89-5
• 化学式: C₁₀H₁₃ClO
• 分子量: 184.666
• InChiKey: NMODLXXHTYJPNJ-UHFFFAOYSA-N

物化性质

• 沸点：
  255.9±35.0 °C(Predicted)
• 密度：
  1.058±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  12
• 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：

  4-氯-3,5-二甲基-苯乙醚 生成 1-(6-ethoxy-3-chloro-2,4-dimethyl-phenyl)-propan-1-one
  参考文献：
  名称：

  Restricted Rotation in Aryl Olefins. IV. Preparation and Resolution of β-Chloro-β-(2-methoxy-4,6-dimethyl-5-chlorophenyl-α-methylacrylic and the Corresponding Acrylic Acid

  摘要：

  DOI：

  10.1021/ja01260a011
• 作为产物：
  描述：

  4-氯-3,5-二甲基苯酚 、 1,2-二溴乙烷 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 12.0h， 生成 4-氯-3,5-二甲基-苯乙醚
  参考文献：
  名称：

  一种茚满类衍生物及其合成方法和在医药上 的用途

  摘要：

  本发明公开了一种茚满类衍生物及其合成方法和在医药上的用途，其结构通式为：本发明的茚满类衍生物对MAO‑B具有良好抑制活性和高选择性。

  公开号：

  CN107056630B

文献信息

• 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。
• 3-Substituted-6-Aryl Pyridines
  申请人：Hutchison Alan J.

  公开号：US20090176980A1

  公开（公告）日：2009-07-09

  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中的3-取代-6-芳基吡啶化合物： 其中R1、R2、R3、R8、R9、A和Ar在此定义。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药物组合物，以及在治疗各种炎症，心血管和免疫系统疾病中使用这些化合物的用途。此外，本发明提供了标记的3-取代-6-芳基吡啶，可用作C5a受体的定位探针。
• 8-AZAPROSTAGLANDIN DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP1481976B1

  公开（公告）日：2012-11-07
• Zondek; Shapiro, Biochemical Journal, 1943, vol. 37, p. 592,593
  作者：Zondek、Shapiro

  DOI：——

  日期：——