3-(tert-butyl)-2-hydroxy-5-methylbenzonitrile | 916764-57-3

• 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: 3-(tert-butyl)-2-hydroxy-5-methylbenzonitrile
• 英文别名: 6-tert-butyl-2-cyano-4-methylphenol；3-Tert-butyl-2-hydroxy-5-methylbenzonitrile
• CAS: 916764-57-3
• 化学式: C₁₂H₁₅NO
• 分子量: 189.257
• InChiKey: WLZZPDZVTNXOOE-UHFFFAOYSA-N

物化性质

• 沸点：
  295.8±28.0 °C(Predicted)
• 密度：
  1.05±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  44
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(tert-butyl)-2-hydroxy-5-methylbenzonitrile 、 2-氨基-2-甲基-1-丙醇 在 zinc(II) chloride 作用下， 以 氯苯 为溶剂， 反应 72.0h， 以75%的产率得到2-(tert-butyl)-6-(4,4-dimethyl-4,5-dihydrooxazol-2-yl)-4-methylphenol
  参考文献：
  名称：

  A general and convenient route to oxazolyl ligands

  摘要：

  A diverse range of chiral and achiral oxazolyl ligands, which have many applications including catalysis and luminescent devices, are synthesized simply in three steps from readily available and inexpensive phenol and amino alcohol starting materials. The method can be applied to ligands with electron-donating/-withdrawing and sterically demanding/undemanding substituents, and can conveniently be scaled up to >25 g of product. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.07.070
• 作为产物：
  描述：

  3-tert-butyl-5-methylsalicylaldoxime 以 二甲基亚砜 为溶剂， 反应 12.0h， 以14.73 g的产率得到3-(tert-butyl)-2-hydroxy-5-methylbenzonitrile
  参考文献：
  名称：

  A general and convenient route to oxazolyl ligands

  摘要：

  A diverse range of chiral and achiral oxazolyl ligands, which have many applications including catalysis and luminescent devices, are synthesized simply in three steps from readily available and inexpensive phenol and amino alcohol starting materials. The method can be applied to ligands with electron-donating/-withdrawing and sterically demanding/undemanding substituents, and can conveniently be scaled up to >25 g of product. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.07.070

文献信息

• Facile One-Pot Transformation of Phenols into<i>o</i>-Cyanophenols
  作者：Yuhta Nakai、Katsuhiko Moriyama、Hideo Togo

  DOI：10.1002/ejoc.201402817

  日期：2014.9

  The treatment of phenols with paraformaldehyde in the presence of MgCl2 and Et3N in THF at 80 °C, followed by reaction with molecular iodine and aq. ammonia at room temperature provided the corresponding o-cyanophenols in moderate to good yields. The present reaction is a one-pot transformation of phenols into o-cyanophenols using much less expensive reagents than are typically used; the reaction is

  在 MgCl2 和 Et3N 的四氢呋喃中，在 80 °C 下用多聚甲醛处理苯酚，然后与分子碘和水溶液反应。氨在室温下以中等至良好的产率提供相应的邻氰基酚。本反应是使用比通常使用的试剂便宜得多的试剂将苯酚一锅法转化为邻氰基苯酚；该反应不含过渡金属和氰化物。在我们从对溴苯酚制备非布司他的过程中强调了该反应的效用。
• AUTOMOTIVE COATING COMPOSITIONS COMPRISING TRIS(HYDROXYPHENYL) TRIAZINES
  申请人：BASF SE

  公开号：EP1893707B1

  公开（公告）日：2014-12-10
• Tris(Hydroxyphenyl) Triazines
  申请人：Vogel Thomas

  公开号：US20090117394A1

  公开（公告）日：2009-05-07

  The instant invention relates to novel tris(hydroxyphenyl) triazines coating compositions, for instance automotive coating compositions, and to novel tris(hydroxyphenyl) triazines UV-absorbers having a long wavelength shifted absorption spectrum with significant absorbance up to 420 nm. Further aspects of the invention are a UV stabilized composition containing the novel UV-absorbers, a process for the stabilization of organic materials and coatings and the use of the compounds as UV-light stabilizers for organic materials and coatings.
• A general and convenient route to oxazolyl ligands
  作者：Helen C. Aspinall、Oliver Beckingham、Michael D. Farrar、Nicholas Greeves、Christopher D. Thomas

  DOI：10.1016/j.tetlet.2011.07.070

  日期：2011.10

  A diverse range of chiral and achiral oxazolyl ligands, which have many applications including catalysis and luminescent devices, are synthesized simply in three steps from readily available and inexpensive phenol and amino alcohol starting materials. The method can be applied to ligands with electron-donating/-withdrawing and sterically demanding/undemanding substituents, and can conveniently be scaled up to >25 g of product. (C) 2011 Elsevier Ltd. All rights reserved.