5-叔丁基-3-氯水杨醛 | 71730-43-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 5-叔丁基-3-氯水杨醛
• 中文别名: 3-氯-5-叔丁基水杨醛
• 英文名称: 3-chloro-5-(1,1-dimethylethyl)-2-hydroxybenzaldehyde
• 英文别名: 5-(tert-butyl)-3-chloro-2-hydroxybenzaldehyde；5-tert-butyl-3-chloro-2-hydroxybenzaldehyde；5-tert-butyl-3-chloro-2-hydroxy-benzaldehyde；5-tert-Butyl-3-chlor-2-hydroxy-benzaldehyd；3-chloro-5-(1,1-dimethylethyl)salicylaldehyde；3-chloro-5-tert-butylsalicylaldehyde；5-tert-Butyl-3-chloro-2-hydroxy-benzaldehyde
• CAS: 71730-43-3
• 化学式: C₁₁H₁₃ClO₂
• 分子量: 212.676
• InChiKey: WLZAKZNRJOORCP-UHFFFAOYSA-N

物化性质

• 保留指数：
  1704

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2913000090

反应信息

• 作为反应物：
  描述：

  5-叔丁基-3-氯水杨醛 在 Rh/Cd 硫酸 、 氢气 作用下， 以 乙醇 、 苯 为溶剂， 反应 24.0h， 生成 2-(3-aminopropyl)-6-chloro-4-(1,1-dimethylethyl)phenol
  参考文献：
  名称：

  2-(Aminomethyl)phenols, a new class of saluretic agents. 3. Effects of functional group reorientation and modification

  摘要：

  A series of modified 2-(aminomethyl)phenols was synthesized and tested orally in rats for saluretic and diuretic effects. Intravenous dog data are included as supplementary material to show that the diuretic responses, or lack thereof, may be obtained in a second species. Reorientation of the 2-(aminomethyl) group either meta or para to the hydroxyl substituent resulted in loss of diuretic effects. Similarly, replacement of either the phenolic hydroxyl or the aminomethyl group with other functional moieties substantially diminished saluretic effects.

  DOI：

  10.1021/jm00141a009
• 作为产物：
  描述：

  2-(aminomethyl)-6-chloro-4-(1,1-dimethylethyl)phenol 在 乌洛托品 作用下， 以 溶剂黄146 为溶剂， 反应 4.0h， 以65%的产率得到5-叔丁基-3-氯水杨醛
  参考文献：
  名称：

  Stokker, G. E.; Schultz, E. M., Synthetic Communications, 1982, vol. 12, # 11, p. 847 - 854

  摘要：

  DOI：

文献信息

• INHIBITORS OF STEAROYL-COA DESATURASE
  申请人：Gillespie Paul

  公开号：US20090149466A1

  公开（公告）日：2009-06-11

  Provided herein are compounds of the formula (I): as well as pharmaceutically acceptable salts thereof, wherein the substituents are as those disclosed in the specification. These compounds, and the pharmaceutical compositions containing them, are useful for the treatment of diseases such as, for example, obesity.

  提供以下式(I)化合物： 以及药用可接受的盐，其中取代基如说明书中所披露。这些化合物以及包含它们的药物组合物可用于治疗诸如肥胖等疾病。
• [EN] CHROMENE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS<br/>[FR] DERIVES DE CHROMENE A TITRE D'AGENTS ANTI-INFLAMMATOIRES
  申请人：PHARMACIA CORP

  公开号：WO2004087687A1

  公开（公告）日：2004-10-14

  The subject invention concerns methods and compounds that have utility in the treatment of a condition associated with cyclooxygenase-2 mediated disorders. Compounds of particular interest are benzopyrans and their analogs defined by formula (I). Wherein Z, X, R1, R2, R3, and R4 are as described in the specification.

  该发明涉及在治疗与环氧合酶-2介导的疾病相关的情况中具有效用的方法和化合物。特别感兴趣的化合物是由式(I)定义的苯并吡喃和它们的类似物。其中Z、X、R1、R2、R3和R4如规范中所述。
• 2-(Aminomethyl)phenols, a new class of saluretic agents. 4. Effects of oxygen and/or nitrogen substitution
  作者：G. E. Stokker、A. A. Deana、S. J. DeSolms、E. M. Schultz、R. L. Smith、E. J. Cragoe、J. E. Baer、H. F. Russo、L. S. Watson

  DOI：10.1021/jm00348a024

  日期：1982.6

  series of oxygen and/or nitrogen substituted 2-(aminomethyl)phenols was synthesized and tested orally in rats for saluretic and diuretic effects. Intravenous dog data are included as supplementary material to demonstrate diuretic responses, or lack thereof, in a second species. In general, substitution on nitrogen with groups other than lower alkyl or substitution on nitrogen and/or oxygen with groups

  合成了一系列氧和/或氮取代的2-（氨基甲基）苯酚，并在大鼠中口服测试了其对利尿剂和利尿剂的作用。包括静脉狗数据作为补充材料，以证明第二种动物的利尿反应或缺乏利尿反应。通常，用低级烷基以外的基团在氮上的取代或用耐水解的基团在氮和/或氧上的取代基本上减少或消除了利尿剂的作用。
• Substituted 2,2-dioxo-1,2,3-benzoxathiazines
  申请人：Merck & Co., Inc.

  公开号：US04166177A1

  公开（公告）日：1979-08-28

  The invention relates to novel 2,2-dioxo-1,2,3-benzoxathiazines substituted in the benzene nucleus, as well as the 3,4-dihydro analogs thereof, useful as anti-inflammatory, antipyretic, analgesic agents.

  该发明涉及在苯环中取代的新型2,2-二氧-1,2,3-苯并噻嗪，以及其3,4-二氢类似物，可用作抗炎、退热、镇痛药剂。
• A facile synthesis of novel benzofuran-2-yl(9-methyl-9H-carbazol-3-yl)methanones
  作者：Hong Zhang、Yan Yan、Yang Li、Wentao Gao

  DOI：10.1007/s11164-012-0513-1

  日期：2012.10

  A facile synthesis of hitherto unreported benzofuran-2-yl(9-methyl-9H-carbazol-3-yl)methanones (3a–l) is described. The synthesis mainly relies on the ultrasound-assisted Rap–Stoermer reaction of 3-chloroacetyl-9-methyl-9H-carbazole (1) with a variety of salicylaldehydes, as well as 2-hydroxy-1-naphthaldehyde (2) in CH3CN, with the presence of PEG-400 as a catalyst. This procedure offers easy access to benzofuran-2-yl(carbazolyl)methanone derivatives in a short reaction time and the products are achieved in good yields.

  本文介绍了一种迄今未报道过的苯并呋喃-2-基（9-甲基-9H-咔唑-3-基）甲酮（3a-l）的简便合成方法。该合成主要依靠 3-氯乙酰基-9-甲基-9H-咔唑（1）与多种水杨醛以及 2-羟基-1-萘甲醛（2）在 CH3CN 中的超声辅助 Rap-Stoermer 反应，并使用 PEG-400 作为催化剂。这种方法可以在很短的反应时间内轻松获得苯并呋喃-2-基（咔唑基）甲酮衍生物，而且产物的收率很高。