Dimethyl 4,4'-[1,3-propanediylbis(oxy)]bisbenzoate | 50685-36-4

• 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: Dimethyl 4,4'-[1,3-propanediylbis(oxy)]bisbenzoate
• 英文别名: methyl 4-[3-(4-methoxycarbonylphenoxy)propoxy]benzoate
• CAS: 50685-36-4
• 化学式: C₁₉H₂₀O₆
• 分子量: 344.364
• InChiKey: PSAHYGJCBBKFJK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  25
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  71.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Dimethyl 4,4'-[1,3-propanediylbis(oxy)]bisbenzoate 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 反应 1.0h， 以90%的产率得到1,3-双(4-羧基苯氧基)丙烷
  参考文献：
  名称：

  Synthesis, characterization and ion transportation studies of some novel cyclophane amides

  摘要：

  Various novel cyclophane amides with a large cavity have been synthesized. The structures of cyclophane amides 14 and 15 were resolved using XRD studies. Cyclophane amide 28 shows a shift in lambda(max) in the UV/Vis. spectra when treated with Cu (II) ion as well as with Ph(II) ion. Ion transportation studies were carried out with cyclophane amide 14 which proved that the Na+ ion passes through the cavity while K+ ions are retained. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.03.064
• 作为产物：
  描述：

  对羟基苯甲酸甲酯 、 1,3-二溴丙烷 在 potassium carbonate 、 potassium iodide 作用下， 以 乙腈 为溶剂， 反应 20.0h， 以75%的产率得到Dimethyl 4,4'-[1,3-propanediylbis(oxy)]bisbenzoate
  参考文献：
  名称：

  Synthesis, characterization and ion transportation studies of some novel cyclophane amides

  摘要：

  Various novel cyclophane amides with a large cavity have been synthesized. The structures of cyclophane amides 14 and 15 were resolved using XRD studies. Cyclophane amide 28 shows a shift in lambda(max) in the UV/Vis. spectra when treated with Cu (II) ion as well as with Ph(II) ion. Ion transportation studies were carried out with cyclophane amide 14 which proved that the Na+ ion passes through the cavity while K+ ions are retained. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.03.064

文献信息

• Process for preparing dronedarone
  申请人：Ratiopharm GmbH

  公开号：EP2371808A1

  公开（公告）日：2011-10-05

  The present invention relates to a process for preparing dronedarone and in particular for preparing an intermediate useful in the preparation of dronedarone. Furthermore, the present invention relates to a process for preparing crystalline dronedarone hydrochloride as well as pharmaceutical compositions comprising this salt.

  本发明涉及一种制备多奈达鲁酮的方法，特别是用于制备多奈达鲁酮制备中间体的方法。此外，本发明还涉及一种制备结晶多奈达鲁酮盐酸盐的方法，以及包含该盐的药物组合物。
• Process for the preparation of dronedarone
  申请人：Gutman Arie

  公开号：US20050049302A1

  公开（公告）日：2005-03-03

  The present invention provides, according to an aspect thereof, a novel process for the preparation of dronedarone [1] and pharmaceutically acceptable salts thereof. According to a preferred embodiment, the process comprises N-acetylating of p-anisidine or p-phenetidine with acetic anhydride, reacting of the obtained N-(4-alkoxyphenyl)acetamide with 2-bromohexanoyl chloride or bromide in the presence of aluminum chloride or bromide to obtain N-[3-(2-bromohexanoyl)-4-hydroxyphenyl]acetamide [6a], converting the compound [6a] into 2-butyl-5-benzofuranamine hydrochloride [12a] and subsequently converting [12a] into [1] or pharmaceutically acceptable salts thereof. In accordance with another aspect of this invention, there are provided novel intermediates, inter alia the novel compounds [6a] and [12a]. The novel intermediates of the present invention are stable, solid compounds, obtainable in high yields, which can be easily purified by crystallization and stored for long periods of time.

  本发明提供了一种制备多吡咯酮[1]及其药学上可接受的盐的新工艺。根据一种优选实施方式，该工艺包括用乙酸酐对对甲氨基苯或对苯乙胺进行N-乙酰化，将得到的N-(4-烷氧基苯基)乙酰胺与2-溴已酰氯或溴在铝氯化物或溴化铝的存在下反应，得到N-[3-(2-溴已酰)-4-羟基苯基]乙酰胺[6a]，将化合物[6a]转化为2-丁基-5-苯并呋喃胺盐酸盐[12a]，随后将[12a]转化为[1]或其药学上可接受的盐。根据本发明的另一方面，还提供了新的中间体，其中包括新的化合物[6a]和[12a]。本发明的新中间体是稳定的固体化合物，可以高产率地得到，并且可以通过结晶轻松纯化并长时间储存。
• US7312345B2
  申请人：——

  公开号：US7312345B2

  公开（公告）日：2007-12-25
• Synthesis, characterization and ion transportation studies of some novel cyclophane amides
  作者：Perumal Rajakumar、A. Mohammed Abdul Rasheed

  DOI：10.1016/j.tet.2005.03.064

  日期：2005.5

  Various novel cyclophane amides with a large cavity have been synthesized. The structures of cyclophane amides 14 and 15 were resolved using XRD studies. Cyclophane amide 28 shows a shift in lambda(max) in the UV/Vis. spectra when treated with Cu (II) ion as well as with Ph(II) ion. Ion transportation studies were carried out with cyclophane amide 14 which proved that the Na+ ion passes through the cavity while K+ ions are retained. (c) 2005 Elsevier Ltd. All rights reserved.