1-{2-[2-(2-Acetyl-phenoxymethyl)-allyloxy]-phenyl}-ethanone | 404575-11-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-{2-[2-(2-Acetyl-phenoxymethyl)-allyloxy]-phenyl}-ethanone
• 英文别名: 1-[2-[2-[(2-Acetylphenoxy)methyl]prop-2-enoxy]phenyl]ethanone
• CAS: 404575-11-7
• 化学式: C₂₀H₂₀O₄
• 分子量: 324.376
• InChiKey: BORKLTWHTRQQMK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  24
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-{2-[2-(2-Acetyl-phenoxymethyl)-allyloxy]-phenyl}-ethanone 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 反应 17.5h， 生成 (14E,35E)-45,46-dihydroxy-3,25-dimethylidene-23,27-dioxaheptacyclo[35.7.1.15,13.06,11.017,22.028,33.039,44]hexatetraconta-1(45),5(46),6,8,10,12,14,17,19,21,28,30,32,35,37,39,41,43-octadecaene-16,34-dione
  参考文献：
  名称：

  Novel synthesis of macrocycles with chalcone moieties through mixed aldol reaction

  摘要：

  24-Membered novel macrocycles with chalcone structural moieties and isobutenyl ether linkages in the core have been prepared through mixed aldol reaction. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)01793-2
• 作为产物：
  描述：

  3-氯-2-氯甲基丙烯 、 2'-羟基苯乙酮 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 以50%的产率得到1-{2-[2-(2-Acetyl-phenoxymethyl)-allyloxy]-phenyl}-ethanone
  参考文献：
  名称：

  Novel synthesis of macrocycles with chalcone moieties through mixed aldol reaction

  摘要：

  24-Membered novel macrocycles with chalcone structural moieties and isobutenyl ether linkages in the core have been prepared through mixed aldol reaction. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)01793-2

文献信息

• [EN] METHODS, COMPOSITIONS, AND APPARATUSES FOR FORMING MACROCYCLIC COMPOUNDS<br/>[FR] PROCEDES, COMPOSITIONS ET APPAREILS PERMETTANT DE FORMER DES COMPOSES MACROCYCLIQUES
  申请人：JOHNSON THOMAS E

  公开号：WO2006025859A3

  公开（公告）日：2006-11-23
• METHODS, COMPOSITIONS, AND APPARATUSES FOR FORMING MACROCYCLIC COMPOUNDS
  申请人：Johnson, Thomas E.

  公开号：EP1716153B1

  公开（公告）日：2013-10-09
• Methods, compositions, and apparatuses for forming macrocyclic compounds
  申请人：Johnson E. Thomas

  公开号：US20070217965A1

  公开（公告）日：2007-09-20

  This invention relates to methods, compositions, and apparatuses for producing macrocyclic compounds. First, one or more reactants are provided in a reaction medium, which are capable of forming the macrocyclic compound through a desired reaction pathway that includes at least cyclization, and which are further capable of forming undesired oligomers through a undesired reaction pathway that includes undesirable oligomerization. Oligomerization of such reactions in the reaction medium is modulated to reduce formation of undesired oligomers and/or to reduce separation of the undesired oligomers from the reaction medium, relative to a corresponding unmodulated oligomerization reaction, thereby maximizing yields of the macrocyclic compound. The macrocyclic compound so formed is then recovered from the reaction medium. Preferably, the macrocyclic compound spontaneously separates from the reaction medium via phase separation. More preferably, the macrocyclic compound spontaneous precipitates from the reaction medium and therefore can be easily recovered by simple filtration.
• US7709632B2
  申请人：——

  公开号：US7709632B2

  公开（公告）日：2010-05-04
• US8053571B2
  申请人：——

  公开号：US8053571B2

  公开（公告）日：2011-11-08