4-tert-butylphenyl 3-oxobutanoate | 186407-60-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: 4-tert-butylphenyl 3-oxobutanoate
• 英文别名: (4-Tert-butylphenyl) 3-oxobutanoate
• CAS: 186407-60-3
• 化学式: C₁₄H₁₈O₃
• 分子量: 234.295
• InChiKey: UDCOYYSEMPVNRP-UHFFFAOYSA-N

物化性质

• 熔点：
  40.5-41.5 °C(Solv: ligroine (8032-32-4))
• 沸点：
  335.3±35.0 °C(Predicted)
• 密度：
  1.046±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-tert-butylphenyl 3-oxobutanoate 在 硫酸 作用下， 反应 24.0h， 以48%的产率得到4-甲基-6-叔丁基香豆素
  参考文献：
  名称：

  Preparation of Newtert-Butyl Substituted Coumarins, Thiocoumarins and Dithiocoumarins

  摘要：

  6-tert-Butyl-4-methyl- and 6,8-di-tert-butyl-4-methylcoumarin were prepared from tert-butylphenols and diketene via the corresponding aryl acetoacetates. 6-tertButyl-4-methyl-thiocoumarin (6) was obtained from 6-tert-butylthiophenol. Thionation with LAWESSON's or DAVY's reagent led to the related thion- and dithiocoumarins. The structures were proved by NMR spectroscopy and an X-ray structure analysis of 6.

  DOI：

  10.1080/10426500701340949
• 作为产物：
  描述：

  双乙烯酮 、 4-叔丁基苯酚 在 三乙胺 作用下， 以 氯仿 为溶剂， 反应 1.5h， 以91%的产率得到4-tert-butylphenyl 3-oxobutanoate
  参考文献：
  名称：

  Preparation of Newtert-Butyl Substituted Coumarins, Thiocoumarins and Dithiocoumarins

  摘要：

  6-tert-Butyl-4-methyl- and 6,8-di-tert-butyl-4-methylcoumarin were prepared from tert-butylphenols and diketene via the corresponding aryl acetoacetates. 6-tertButyl-4-methyl-thiocoumarin (6) was obtained from 6-tert-butylthiophenol. Thionation with LAWESSON's or DAVY's reagent led to the related thion- and dithiocoumarins. The structures were proved by NMR spectroscopy and an X-ray structure analysis of 6.

  DOI：

  10.1080/10426500701340949

文献信息

• Thermal transfer recording material, thermal transfer image receptive sheet, ink sheet, thermal transfer recording method, and metal containing compound
  申请人：Konica Minolta Photo Imaging, Inc.

  公开号：EP1568680A1

  公开（公告）日：2005-08-31

  A thermal transfer recording material including a support having thereon a metal containing compound derived from a divalent metal salt and a compound represented by Formula (I), the metal containing compound having a property to form a metal-chelated dye by heating with a metal chelating dye represented by Formulas (1), (2) or (4).

  一种热转印记录材料，包括一个支撑体，其上含有从二价金属盐衍生的金属化合物和由公式（I）表示的化合物，所述金属化合物具有通过与由公式（1）、（2）或（4）表示的金属螯合染料加热形成金属螯合染料的性质。
• ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS
  申请人：Murai Shio

  公开号：US20130202327A1

  公开（公告）日：2013-08-08

  Provided is an electrophotographic photosensitive member, including: a support; and a photosensitive layer, which is provided on the support, in which: a surface layer of the electrophotographic photosensitive member includes a terminal siloxane-containing polyester resin having a specific structure; and a lower layer provided in contact with the surface layer includes a polycarbonate resin, a polyester resin, or a polyvinyl acetal resin, having a specific structure.
• US8921020B2
  申请人：——

  公开号：US8921020B2

  公开（公告）日：2014-12-30
• Preparation of New<i>tert</i>-Butyl Substituted Coumarins, Thiocoumarins and Dithiocoumarins
  作者：Jürgen Voss、Ronald Edler、Gunadi Adiwidjaja

  DOI：10.1080/10426500701340949

  日期：2007.6.14

  6-tert-Butyl-4-methyl- and 6,8-di-tert-butyl-4-methylcoumarin were prepared from tert-butylphenols and diketene via the corresponding aryl acetoacetates. 6-tertButyl-4-methyl-thiocoumarin (6) was obtained from 6-tert-butylthiophenol. Thionation with LAWESSON's or DAVY's reagent led to the related thion- and dithiocoumarins. The structures were proved by NMR spectroscopy and an X-ray structure analysis of 6.