2,5-bis(hydroxymethylphenyl)-3,4-diphenylthiophene | 609369-02-0

• 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: 2,5-bis(hydroxymethylphenyl)-3,4-diphenylthiophene
• 英文别名: [5-[Hydroxy(phenyl)methyl]-3,4-diphenylthiophen-2-yl]-phenylmethanol；[5-[hydroxy(phenyl)methyl]-3,4-diphenylthiophen-2-yl]-phenylmethanol
• CAS: 609369-02-0
• 化学式: C₃₀H₂₄O₂S
• 分子量: 448.585
• InChiKey: YZRCBDHFPUKYOQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  68.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  吡咯 、 2,5-bis(hydroxymethylphenyl)-3,4-diphenylthiophene 在 三氟化硼乙醚 、 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 二氯甲烷 为溶剂， 生成 meso-5,10,15,20-tetraphenyl-β-2,3,12,13-tetraphenyl-21,23-dithiaporphyrin
  参考文献：
  名称：

  Synthesis of β-Thiophene-Substituted 21,23-Dithiaporphyrins

  摘要：

  合成并表征了β-噻吩取代的21,23-二硫卟啉，取代基包括甲基和苯基。

  DOI：

  10.1246/cl.2003.744
• 作为产物：
  描述：

  3,4-二苯基噻吩 、 苯甲醛 在 正丁基锂 作用下， 以 乙醚 、 正己烷 、 四氢呋喃 为溶剂， 反应 1.0h， 以29%的产率得到2,5-bis(hydroxymethylphenyl)-3,4-diphenylthiophene
  参考文献：
  名称：

  Synthesis of β-pyrrole and β-thiophene substituted 21,23-dithia and 21-monothiaporphyrins

  摘要：

  A series of beta-pyrrole and beta-thiophene substituted porphyrins with N2S2 and N3S porphyrin cores were synthesized and characterized. The introduction of substituents at beta-pyrrole and beta-thiophene carbons resulted in significant shifts in H-1 NMR, absorption and fluorescence maxima. These effects were attributed to alteration of the porphyrin ring current caused by substituents at beta-positions. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2004.03.047

文献信息

• Synthesis of β-Thiophene-Substituted 21,23-Dithiaporphyrins
  作者：Neeraj Agarwal、Sarada P. Mishra、A. Kumar、M. Ravikanth

  DOI：10.1246/cl.2003.744

  日期：2003.8

  β-Thiophene-substituted 21,23-dithiaporphyrins with substituents like methyl and phenyl groups were synthesized and characterized.

  合成并表征了β-噻吩取代的21,23-二硫卟啉，取代基包括甲基和苯基。
• Synthesis of β-pyrrole and β-thiophene substituted 21,23-dithia and 21-monothiaporphyrins
  作者：Neeraj Agarwal、Mangalampalli Ravikanth

  DOI：10.1016/j.tet.2004.03.047

  日期：2004.5

  A series of beta-pyrrole and beta-thiophene substituted porphyrins with N2S2 and N3S porphyrin cores were synthesized and characterized. The introduction of substituents at beta-pyrrole and beta-thiophene carbons resulted in significant shifts in H-1 NMR, absorption and fluorescence maxima. These effects were attributed to alteration of the porphyrin ring current caused by substituents at beta-positions. (C) 2004 Elsevier Ltd. All rights reserved.