ethyl 6-chloro-3-methyl-1-benzofuran-2-carboxylate (ethyl-6-chloro-3-methyl-1-benzofuran-2-carboxylate) | 142143-57-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: ethyl 6-chloro-3-methyl-1-benzofuran-2-carboxylate (ethyl-6-chloro-3-methyl-1-benzofuran-2-carboxylate)
• 英文别名: ethyl 3-methyl-6-chloro-1-benzofuran-2-carboxylate；ethyl-6-chloro-3-methyl-1-benzofuran-2-carboxylate；Ethyl 6-chloro-3-methyl-1-benzofuran-2-carboxylate
• CAS: 142143-57-5
• 化学式: C₁₂H₁₁ClO₃
• 分子量: 238.671
• InChiKey: BCKNCGUIQWTLLQ-UHFFFAOYSA-N

物化性质

• 沸点：
  323.8±37.0 °C(Predicted)
• 密度：
  1.263±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  39.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  ethyl 2-(3-chlorophenoxy)-3-oxobutanoate 在 polyphosphoric acid 作用下， 反应 8.0h， 生成 Ethyl 4-chloro-3-methyl-1-benzofuran-2-carboxylate 、 ethyl 6-chloro-3-methyl-1-benzofuran-2-carboxylate (ethyl-6-chloro-3-methyl-1-benzofuran-2-carboxylate)
  参考文献：
  名称：

  New One-Pot Synthesis of Polysubstituted Benzofurans and Benzo-1,4-dioxines

  摘要：

  It has been revealed that the copper(II) triflate catalyzed reaction of ethyl-2-diazo-3-oxobutanoate with phenols followed by cyclization of the intermediate enol in the presence of polyphosphoric acid is a simple and efficient method of synthesis of polysubstituted benzofurans. The use of pyrocatechol leads to the corresponding substituted 1,4-benzodioxine-2-carboxylates as major products.

  DOI：

  10.1134/s0012500818100051

文献信息

• 5-MEMBERED HETEROCYCLE FUSED WITH [3,4-D]PYRIDAZINONE, AND MANUFACTURING METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF
  申请人：Shanghai Institute of Materia Medica, Chinese Academy of Sciences

  公开号：EP3470415A1

  公开（公告）日：2019-04-17

  The present invention provides a compound comprising a 5-membered heterocycle fused with a pyridazinone, wherein the compound is used as an FGFR kinase inhibitor, and a manufacturing method and application thereof. The invention specifically provides a compound as represented by formula (I). Various radicals are as defined in the specification. The compound provided by the invention effectively inhibits an activity of an FGFR kinase, and can be used to manufacture a pharmaceutical product for treating a disease related to the activity of the FGFR kinase.

  本发明提供了一种化合物，该化合物包括与吡啶并嗪酮融合的5-成员杂环，其中该化合物用作FGFR激酶抑制剂，以及其制备方法和应用。该发明具体提供了一种由式（I）表示的化合物。各种基团如规范中所定义。本发明提供的化合物有效抑制FGFR激酶的活性，并可用于制造用于治疗与FGFR激酶活性相关的疾病的药物产品。
• Suzuki, Tsuneo; Tanemura, Kiyoshi; Horaguchi, Takaaki, Journal of Heterocyclic Chemistry, 1992, vol. 29, # 2, p. 423 - 429
  作者：Suzuki, Tsuneo、Tanemura, Kiyoshi、Horaguchi, Takaaki、Shimimizu, Takahachi、Sakakibara, Tohru

  DOI：——

  日期：——
• 5-MEMBERED HETEROCYCLE FUSED WITH [3,4-D] PYRIDAZINONE, AND MANUFACTURING METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF
  申请人：SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

  公开号：US20190135818A1

  公开（公告）日：2019-05-09

  The present invention provides a compound comprising a 5-membered heterocycle fused with a pyridazinone, wherein the compound is used as an FGFR kinase inhibitor, and a manufacturing method and application thereof. The invention specifically provides a compound as represented by formula (I). Various radicals are as defined in the specification. The compound provided by the invention effectively inhibits an activity of an FGFR kinase, and can be used to manufacture a pharmaceutical product for treating a disease related to the activity of the FGFR kinase.
• New One-Pot Synthesis of Polysubstituted Benzofurans and Benzo-1,4-dioxines
  作者：G. N. Sakhabutdinova、G. Z. Raskil’dina、S. S. Zlotskii、R. M. Sultanova

  DOI：10.1134/s0012500818100051

  日期：2018.10

  It has been revealed that the copper(II) triflate catalyzed reaction of ethyl-2-diazo-3-oxobutanoate with phenols followed by cyclization of the intermediate enol in the presence of polyphosphoric acid is a simple and efficient method of synthesis of polysubstituted benzofurans. The use of pyrocatechol leads to the corresponding substituted 1,4-benzodioxine-2-carboxylates as major products.