2-甲氧基-4-甲基苯甲酸乙酯 | 99500-39-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-甲氧基-4-甲基苯甲酸乙酯
• 英文名称: ethyl 2-methoxy-4-methylbenzoate
• 英文别名: 2-methoxy-4-methyl-benzoic acid ethyl ester；2-Methoxy-4-methyl-benzoesaeure-aethylester
• CAS: 99500-39-7
• 化学式: C₁₁H₁₄O₃
• 分子量: 194.23
• InChiKey: AAXLPMDTDLPTIB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-甲氧基-4-甲基苯甲酸乙酯 在 氢氧化钾 作用下， 生成 2-甲氧基-4-甲基苯甲酸
  参考文献：
  名称：

  Synthesis of Phthalates, Benzoates, and Phthalides via thein situGeneration of Methoxycyclohexa-1,3-dienes and their Subsequent Diels-Alder Reactions with Acetylenes

  摘要：

  DOI：

  10.1055/s-1982-29756
• 作为产物：
  描述：

  1-甲氧基-5-甲基-1,4-环己二烯 、 丙炔酸乙酯 在 Wilkinson's catalyst 作用下， 反应 4.0h， 生成 2-甲氧基-4-甲基苯甲酸乙酯
  参考文献：
  名称：

  Synthesis of Phthalates, Benzoates, and Phthalides via thein situGeneration of Methoxycyclohexa-1,3-dienes and their Subsequent Diels-Alder Reactions with Acetylenes

  摘要：

  DOI：

  10.1055/s-1982-29756

文献信息

• AROMATIC HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL
  申请人：Nippon Shinyaku Co., Ltd.

  公开号：EP2857398A1

  公开（公告）日：2015-04-08

  The main purpose of the invention is to provide a novel aromatic heterocyclic derivative or a pharmaceutically acceptable salt thereof. Examples of the invention include aromatic heterocyclic derivatives represented by general formula [1] and pharmaceutically acceptable salts thereof. In formula [1], R1 represents phenyl optionally substituted with one or two groups selected from the group consisting of halogens ,as well as alkyls and alkoxys optionally substituted by halogens; R2 represents a hydrogen, an alkyl, cycloalkyl, or alkoxy optionally substituted by a halogen, or a heteroaryl optionally substituted by an alkyl; X represents CR3, and Y represents N or CR4, or X represents N, and Y represents CR4; and Z represents CR5 or N.

  该发明的主要目的是提供一种新的芳香杂环衍生物或其药用可接受盐。该发明的示例包括由一般式[1]表示的芳香杂环衍生物和其药用可接受盐。在式[1]中，R1代表苯基，可以选择地取代一个或两个来自卤素、以及选择性地取代为卤素的烷基和烷氧基的基团之一；R2代表氢、烷基、环烷基或选择性地取代为卤素的烷氧基，或选择性地取代为烷基的杂芳基；X代表CR3，Y代表N或CR4，或X代表N，Y代表CR4；Z代表CR5或N。
• Substituted alkylidene imidazoles
  申请人：G.D. Searle & Co.

  公开号：EP0150892B1

  公开（公告）日：1991-04-24
• Paul, Journal of the Indian Chemical Society, 1932, vol. 9, p. 493,497
  作者：Paul

  DOI：——

  日期：——
• Sen; Joshi, Journal of the Indian Chemical Society, 1949, vol. 26, p. 335
  作者：Sen、Joshi

  DOI：——

  日期：——
• SUBSTITUTED PYRROLIDINES AS ROS TYROSINE KINASE INHIBITORS
  申请人：NIPPON SHINYAKU CO., LTD.

  公开号：US20170143722A1

  公开（公告）日：2017-05-25

  The main purpose of the invention is to provide a novel aromatic heterocyclic derivative or a pharmaceutically acceptable salt thereof. Examples of the invention include aromatic heterocyclic derivatives represented by general formula [1] and pharmaceutically acceptable salts thereof. In formula [1]: R 1 represents phenyl optionally substituted with one or two groups selected from the group consisting of halogens, as well as alkyls and alkoxys optionally substituted by halogens; R 2 represents hydrogen, an alkyl, cycloalkyl, or alkoxy optionally substituted by a halogen, or a heteroaryl optionally substituted by an alkyl; X represents CR 3 , and Y represents N or CR 4 , or X represents N, and Y represents CR 4 ; and Z represents CR 5 or N.