2-(4'-hydroxyphenyl)benzyl alcohol | 134967-58-1

• 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: 2-(4'-hydroxyphenyl)benzyl alcohol
• 英文别名: 4-[2'-(hydroxymethyl)phenyl]phenol；4-(2-Hydroxymethylphenyl)phenol；4-[2-(hydroxymethyl)phenyl]phenol
• CAS: 134967-58-1
• 化学式: C₁₃H₁₂O₂
• 分子量: 200.237
• InChiKey: BLHRHXRPQWCHJI-UHFFFAOYSA-N

物化性质

• 熔点：
  121-122 °C(Solv: toluene (108-88-3))
• 沸点：
  399.8±30.0 °C(Predicted)
• 密度：
  1.199±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(4'-hydroxyphenyl)benzyl alcohol 以 水 、 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Charge polarization in photoexcited alkoxy-substituted biphenyls: formation of biphenyl quinone methides

  摘要：

  烷氧基取代的双联苯在S1态高度极化，负电荷位于不含烷氧基的苯环上，通过激光闪光光解可以光生光谱学上可观测的瞬态双联苯醌甲亚胺。

  DOI：

  10.1039/c39950001217
• 作为产物：
  描述：

  4-[2'-(羟甲基)苯基]苯甲醚 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 反应 5.0h， 以80%的产率得到2-(4'-hydroxyphenyl)benzyl alcohol
  参考文献：
  名称：

  联芳系统光生醌甲基化物的溶剂分解和闭环

  摘要：

  各种联芳基醌甲基化物已经从联芳基前体 4??6 和 8、10 和 11 以一系列效率光生，它们都具有交替的羟基和羟甲基取代基。

  DOI：

  10.1139/v05-138

文献信息

• Photochemistry of phenoxybenzyl alcohols in aqueous solution: photosolvolysis vs. photorearrangement to 6H-dibenzo[b,d]pyrans
  作者：C. G. Huang、Peter Wan

  DOI：10.1021/jo00016a009

  日期：1991.8

  The photochemistry of three phenoxybenzyl alcohols (1-3) has been studied in MeOH, CH3CN, and in aqueous solution. It was found that both of the ortho-substituted phenoxybenzyl alcohols 1 and 2 gave the corresponding 6H-dibenzo[b,d]pyrans 6 and 10, via a mechanism believed to involve initial aryl C-O bond homolysis followed by rearrangement to give a 2-(2'-hydroxyphenyl)benzyl alcohol (biphenyl) derivative, which subsequently undergoes a photocyclization reaction to the corresponding 6H-dibenzo[b,d]pyran. The quantum yield for formation of 6 (from 1) was 0.0073 in neutral 6:4 H2O-CH3CN. Lower quantum yields for formation of 6 were observed on photolysis in pure organic solvents (PHI = 0.0015 in 100% CH3CN). The meta-substituted isomer 3 did not give any reaction via a similar photocyclization process: its photochemistry involves initial aryl C-O bond homolysis followed by simple radical recoupling to give isomeric hydroxybiphenyls, as well as products derived from radical escape. In aqueous sulfuric acid solution (pH < 2), a competing acid-catalyzed photosolvolysis reaction was observed for all of these compounds (i.e., C-OH bond heterolysis with assistance of hydronium ion); it was the only observed reaction in moderately concentrated sulfuric acid solution.
• FLÜSSIGKRISTALLANZEIGE
  申请人：Merck Patent GmbH

  公开号：EP2181173A1

  公开（公告）日：2010-05-05
• [DE] FLÜSSIGKRISTALLANZEIGE<br/>[EN] LIQUID CRYSTAL DISPLAY<br/>[FR] AFFICHAGE À CRISTAUX LIQUIDES
  申请人：MERCK PATENT GMBH

  公开号：WO2009030329A1

  公开（公告）日：2009-03-12

  Die vorliegende Erfindung betrifft eine Flüssigkristall (FK)-Anzeige des PS- (polymer stabilized) oder PSA- (polymer sustained alignment) Typs, sowie polymerisierbare Verbindungen und FK-Medien zur Verwendung in PS- (polymer stabilized) und PSA-Anzeigen.
• Charge polarization in photoexcited alkoxy-substituted biphenyls: formation of biphenyl quinone methides
  作者：Yijian Shi、Peter Wan

  DOI：10.1039/c39950001217

  日期：——

  Alkoxy-substituted biphenyls are highly polarized in S1, with the negative charge residing on the ring not possessing the alkoxy group, enabling the photogeneration of spectrophotometrically observable transient biphenyl quinone methides by laser flash photolysis.

  烷氧基取代的双联苯在S1态高度极化，负电荷位于不含烷氧基的苯环上，通过激光闪光光解可以光生光谱学上可观测的瞬态双联苯醌甲亚胺。
• Solvolysis and ring closure of quinone methides photogenerated from biaryl systems
  作者：Yijian Shi、Peter Wan

  DOI：10.1139/v05-138

  日期：2005.9.1

  A variety of biaryl quinone methides have been photogenerated with a range of efficiencies from biaryl precursors 4–6 and 8, 10, and 11, all having hydroxyl and hydroxymethyl substituents on altern...

  各种联芳基醌甲基化物已经从联芳基前体 4??6 和 8、10 和 11 以一系列效率光生，它们都具有交替的羟基和羟甲基取代基。