3-(1-Cyclopropyl-prop-2-ynyloxy)-4,5-dimethoxy-benzoic acid methyl ester | 192315-04-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-(1-Cyclopropyl-prop-2-ynyloxy)-4,5-dimethoxy-benzoic acid methyl ester
• 英文别名: methyl (RS)-3-(1-cyclopropyl-prop-2-ynyloxy)-4,5-dimethoxy-benzoate；methyl 3-(1-cyclopropylprop-2-ynoxy)-4,5-dimethoxybenzoate
• CAS: 192315-04-1
• 化学式: C₁₆H₁₈O₅
• 分子量: 290.316
• InChiKey: UXOJPKWHYOWIOX-UHFFFAOYSA-N

物化性质

• 沸点：
  360.0±21.0 °C(Predicted)
• 密度：
  1.192±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  21
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  54
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-(1-Cyclopropyl-prop-2-ynyloxy)-4,5-dimethoxy-benzoic acid methyl ester 在 氩 、 silica gel 、 甲苯 作用下， 以 N,N-二乙基苯胺 为溶剂， 90.0~200.0 ℃ 、13.33 kPa 条件下， 反应 5.0h， 以Methyl (RS)-2-cyclopropyl-7,8-dimethoxy-2H-1 -benzopyran-5-carboxylate was obtained as white crystals的产率得到2-环丙基-7,8-二甲氧基-2H-苯并吡喃-5-甲酸甲酯
  参考文献：
  名称：

  Diamino pyrimidines

  摘要：

  化学式为I的化合物，其中R.sup.1表示直链C.sub.5-10-烷基，支链C.sub.3-5-烷基，C.sub.3-6-环烷基或C.sub.3-5-ω-羧基烷基，R.sup.2和R.sup.3表示C.sub.1-5-烷基; 或者R.sup.1表示氢，R.sup.2表示C.sub.3-5-ω-羧基烷基，R.sup.3表示C.sub.1-5-烷基; 或其药学上可接受的酸盐具有抗生素特性，可用于控制或预防传染病。

  公开号：

  US05773446A1
• 作为产物：
  描述：

  3-(1-Cyclopropyl-trimethylsilylprop-2-ynyloxy)-4,5-dimethoxy-benzoic acid methyl ester 在 K2CO3 、 KF 、 N,N-二乙基苯胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以71%的产率得到3-(1-Cyclopropyl-prop-2-ynyloxy)-4,5-dimethoxy-benzoic acid methyl ester
  参考文献：
  名称：

  Benzofuran derivatives and their use as antibacterial agents

  摘要：

  该发明涉及新型苯并呋喃衍生物及其作为药物成分在制备药物组合物中的用途。该发明还涉及相关方面，包括制备化合物的过程、含有其中一种或多种化合物的药物组合物，特别是它们作为抗感染剂的用途。

  公开号：

  US20040034047A1

文献信息

• Pt(IV)-catalyzed cyclization of arene–alkyne substrates via C–H bond functionalization
  作者：Stefan J Pastine、So Won Youn、Dalibor Sames

  DOI：10.1016/j.tet.2003.05.003

  日期：2003.11

  We herein report that PtCl4 has proven to be a hydroarylation catalyst with an efficiency and substrate scope superior to previously known methods. This catalyst demonstrated consistent performance with arene-yne substrates of diverse structural features, including propargyl ethers, propargylamines, and alkynoate esters, providing good to excellent yields of the 6-endo products (chromenes, dihydroquinolines, and coumarins). In contrast, Pt(II), Pd(II), and Ga(III) salts were shown to be sensitive to the substitution on the alkyne moiety. PtCl4 is compatible with both terminal and disubstituted alkynes, as well as with various functionalities on the arene ring, including methyl, methoxyl, hydroxyl, protected amine, and halide. (C) 2003 Elsevier Ltd. All rights reserved.
• BENZOFURAN DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS
  申请人：Arpida AG,

  公开号：EP1307445A1

  公开（公告）日：2003-05-07
• US7030130B2
  申请人：——

  公开号：US7030130B2

  公开（公告）日：2006-04-18
• [EN] BENZOFURAN DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS<br/>[FR] DERIVES DU BENZOFURANNE ET LEUR UTILISATION COMME AGENTS ANTIBACTERIENS
  申请人：ARPIDA AG

  公开号：WO2002010157A1

  公开（公告）日：2002-02-07

  The invention relates to novel benzofuran derivatives and their use as active ingredients in the preparation of pharmaceutical compositions. The invention also concerns related aspects including processes for the preparation of the compounds, pharmaceutical compositions containing one or more of those compounds and especially their use as anti-infectives.
• [EN] BENZOFURAN DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS<br/>[FR] DERIVES DE BENZOFURANNE ET LEUR UTILISATION EN TANT QU'AGENTS ANTIBACTERIENS
  申请人：ARPIDA AG

  公开号：WO2002010156A1

  公开（公告）日：2002-02-07

  The invention relates to novel benzofuran derivatives and their use as active ingredients in the preparation of pharmaceutical compositions. The invention also concerns related aspects including processes for the preparation of the compounds, pharmaceutical compositions containing one or more of those compounds and especially their use as anti-infectives.