4-(2-methoxy-5-methyl-phenyl)-butyric acid | 58404-64-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-(2-methoxy-5-methyl-phenyl)-butyric acid
• 英文别名: 4-(2-Methoxy-5-methyl-phenyl)-buttersaeure；4-(2-methoxy-5-methylphenyl)-butyric acid；4-(2-Methoxy-5-methylphenyl)butanoic acid
• CAS: 58404-64-1
• 化学式: C₁₂H₁₆O₃
• 分子量: 208.257
• InChiKey: QWXBQKDUQJHCEZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(2-methoxy-5-methyl-phenyl)-butyric acid 在 phosphorus pentoxide 、 苯 作用下， 生成 8-methyl-5-methoxy-1-tetralone
  参考文献：
  名称：

  Paranjpe; Phalnikar; Nargund, Journal of the University of Bombay, Science: Physical Sciences, Mathematics, Biological Sciences and Medicine, 1942, vol. 11/A, p. 120,122

  摘要：

  DOI：
• 作为产物：
  描述：

  4-(2-甲氧基-5-甲基苯基)-4-氧代丁酸 在 盐酸 、 amalgamated zinc 作用下， 生成 4-(2-methoxy-5-methyl-phenyl)-butyric acid
  参考文献：
  名称：

  Desai; Wali, Proceedings - Indian Academy of Sciences, Section A, 1937, vol. 6, p. 135,142

  摘要：

  DOI：

文献信息

• Tetrahydro-6,7-dimethoxy-1H-benz[e]isoinodolines useful in the treatment
  申请人：Abbott Laboratories

  公开号：US04618683A1

  公开（公告）日：1986-10-21

  Disclosed herein are tetrahydro-benzo[e]isoindolines represented by the formula ##STR1## wherein R, R.sub.1 and R.sub.2 are independently selected from hydrogen, loweralkyl of 1 to 4 carbon atoms, hydroxy, loweralkoxy of 1 to 3 carbon atoms, allyloxy, benzyloxy, benzoyloxy, thiomethyl, halo, ##STR2## wherein t is 0 or 1, n is 0 to 5 and R.sub.11 and R.sub.14 are independently selected from hydrogen, halo, hydroxy, loweralkyl of 1 to 4 carbon atoms, loweralkoxy of 1 to 3 carbon atoms or amino; or R and R.sub.1, or R.sub.1 and R.sub.2 can be taken together to form a methylenedioxy or ethylenedioxy bridge; with the proviso that at least one of R, R.sub.1 or R.sub.2 must be other than hydrogen and the proviso that two of R, R.sub.1, or R.sub.2 must be other than methoxy in the 7 and 8 positions when the remaining one of R, R.sub.1 or R.sub.2 is hydrogen; and R.sub.3 is hydrogen, loweralkyl of 1 to 4 carbon atoms, halo-substituted loweralkyl of 1 to 4 carbon atoms, amino-substituted loweralkyl of 1 to 4 carbon atoms, amino-substituted arylalkyl, allyl, thioloweralkyl, loweralkanol, or ##STR3## wherein R.sub.12 and R.sub.13 are independently selected from hydrogen, hydroxy, amino, loweralkoxy of 1 to 3 carbon atoms and s is 1 to 3; or ##STR4## wherein m is 0, 1 or 2, p is 0 or 1, R.sub.7 is hydrogen or loweralkyl of 1 to 4 carbon atoms and R.sub.8 and R.sub.9 are independently selected from hydrogen, hydroxy, methoxy, loweralkyl of 1 to 4 carbon atoms, or halo, or R.sub.8 and R.sub.9 can be taken together to form a methylenedioxy or ethylenedioxy bridge; or 1,4-benzodioxan of the formula ##STR5## wherein q is 1, 2 or 3, and R.sub.10 is hydrogen, methoxy, amino, or halo; and the pharmaceutically acceptable salts thereof.

  本公开涉及的是由以下式表示的四氢-苯并[e]异喹啉：其中R、R.sub.1和R.sub.2分别选自氢、1至4个碳原子的低碳烷基、羟基、1至3个碳原子的低碳氧烷基、烯丙氧基、苄氧基、苯甲酰氧基、硫甲基、卤素、t为0或1、n为0至5、R.sub.11和R.sub.14分别选自氢、卤素、羟基、1至4个碳原子的低碳烷基、1至3个碳原子的低碳氧烷基或氨基；或R和R.sub.1，或R.sub.1和R.sub.2可以结合形成亚甲二氧桥或乙烯二氧桥；但R、R.sub.1或R.sub.2中至少有一个必须不是氢，且当R、R.sub.1或R.sub.2中的另外一个是氢时，R、R.sub.1或R.sub.2中的两个必须不是7和8位置的甲氧基；R.sub.3是氢、1至4个碳原子的低碳烷基、1至4个碳原子的卤素取代的低碳烷基、1至4个碳原子的氨基取代的低碳烷基、氨基取代的芳基烷基、烯丙基、硫代低碳烷基、低碳醇、或其中R.sub.12和R.sub.13分别选自氢、羟基、氨基、1至3个碳原子的低碳氧烷基，s为1至3；或m为0、1或2、p为0或1、R.sub.7为氢或1至4个碳原子的低碳烷基，R.sub.8和R.sub.9分别选自氢、羟基、甲氧基、1至4个碳原子的低碳烷基或卤素，或R.sub.8和R.sub.9可以结合形成亚甲二氧桥或乙烯二氧桥；或以下式的1,4-苯并二氧杂环己烷：其中q为1、2或3，R.sub.10为氢、甲氧基、氨基或卤素；以及其药学上可接受的盐。
• Synthesis and Rearrangement of Cyclohexadienones
  作者：R. B. Woodward、Tara Singh

  DOI：10.1021/ja01157a129

  日期：1950.1
• US4618683A
  申请人：——

  公开号：US4618683A

  公开（公告）日：1986-10-21