1-(3-{3-[3-(1-Hydroxy-prop-2-ynyl)-phenoxymethyl]-benzyloxy}-phenyl)-prop-2-yn-1-ol | 441799-35-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-(3-{3-[3-(1-Hydroxy-prop-2-ynyl)-phenoxymethyl]-benzyloxy}-phenyl)-prop-2-yn-1-ol
• CAS: 441799-35-5
• 化学式: C₂₆H₂₂O₄
• 分子量: 398.458
• InChiKey: VOTZJFCRGIQCKO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.18
• 重原子数：
  30.0
• 可旋转键数：
  8.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  58.92
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  1-(3-{3-[3-(1-Hydroxy-prop-2-ynyl)-phenoxymethyl]-benzyloxy}-phenyl)-prop-2-yn-1-ol 在 jones reagent 、 potassium carbonate 作用下， 生成 (E)-3-Dimethylamino-1-(3-{3-[3-((E)-3-dimethylamino-acryloyl)-phenoxymethyl]-benzyloxy}-phenyl)-propenone
  参考文献：
  名称：

  Synthesis of linked 1,3,5-triaroylbenzenes via enamine-directed alkyne cyclotrimerization

  摘要：

  Triaroylbenzenes connected via m-xylyl, p-xylyl, 4,4'-biphenyl, and 1,3,5-benzenetriyl linking units have been prepared in good yield by condensation of bis(enaminones) with aryl ethynyl ketones, The required bis(enaminones) were conveniently prepared starting from the corresponding bis- or tris(halomethyl) linking units and 3-hydroxybenzaldehyde. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)01125-4
• 作为产物：
  描述：

  间二溴苄 在 potassium carbonate 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 26.0h， 生成 1-(3-{3-[3-(1-Hydroxy-prop-2-ynyl)-phenoxymethyl]-benzyloxy}-phenyl)-prop-2-yn-1-ol
  参考文献：
  名称：

  An Enaminone-Directed Benzannulation/Macrocyclization Approach to Cyclophane Ring Systems

  摘要：

  A straightforward and modular preparative approach to 1,3,5-triaroylbenzene-based functionalized cyclophane ring systems has been developed. The key cyclophane-forming macrocyclization reaction was accomplished during the course of a regioselective cross-benzannulation between bis(aryl ethynyl) ketone and enaminone reactants. Macrocyclic products with ring sizes ranging from 18-to 22-membered were successfully constructed. The composition of the tether connecting the two aryl ethynyl ketone fragments can be easily varied; consequently, this method is suitable for construction of a diverse range of structurally distinct cyclophane products. To illustrate this feature, cyclophanes possessing xylyl, alkyl, di(ethylene triamine), and di(ethylene oxy) bridging units were synthesized in isolated yields of 11-46%. Three new cyclophanes (calixarene-like macrocyles 8 and 9, as well as crownophane 18) were structurally characterized by X-ray diffractometry.

  DOI：

  10.1021/jo0256181