methyl o-tolyl carbamic acid 1-benzyl ester | 1118917-05-7

• 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: methyl o-tolyl carbamic acid 1-benzyl ester
• 英文别名: benzyl N-methyl-N-(2-methylphenyl)carbamate
• CAS: 1118917-05-7
• 化学式: C₁₆H₁₇NO₂
• 分子量: 255.316
• InChiKey: SRPAGHGRHGDSJP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  methyl o-tolyl carbamic acid 1-benzyl ester 在 lithium diisopropyl amide 作用下， 以 1,3,4-trimethylimidazolidin-2-one 、 乙醚 为溶剂， 反应 4.0h， 以55%的产率得到methylcarbamic acid o-tolyl-(phenyl)methyl ester
  参考文献：
  名称：

  N to C Aryl Migration in Lithiated Carbamates: α-Arylation of Benzylic Alcohols

  摘要：

  We report a new mode of reactivity displayed by lithiated O-benzyl carbamates carrying an N-aryl substituent: upon lithiation, the N-aryl group is transferred cleanly from N to C. An arylation of the carbamate results, providing a route to alpha,alpha-arylated secondary or tertiary alcohols. We also report density functional theory calculations supporting the proposal that arylation proceeds through a dearomatizing attack on the aromatic ring, a significantly lower energy pathway than the 1,2-acyl transfer observed with related N-alkyl carbamates.

  DOI：

  10.1021/ja808959e
• 作为产物：
  描述：

  苄基(2-甲基苯基)氨基甲酸酯 、 碘甲烷 在 sodium hydride 作用下， 以 四氢呋喃 、 mineral oil 为溶剂， 反应 24.5h， 生成 methyl o-tolyl carbamic acid 1-benzyl ester
  参考文献：
  名称：

  N to C Aryl Migration in Lithiated Carbamates: α-Arylation of Benzylic Alcohols

  摘要：

  We report a new mode of reactivity displayed by lithiated O-benzyl carbamates carrying an N-aryl substituent: upon lithiation, the N-aryl group is transferred cleanly from N to C. An arylation of the carbamate results, providing a route to alpha,alpha-arylated secondary or tertiary alcohols. We also report density functional theory calculations supporting the proposal that arylation proceeds through a dearomatizing attack on the aromatic ring, a significantly lower energy pathway than the 1,2-acyl transfer observed with related N-alkyl carbamates.

  DOI：

  10.1021/ja808959e

文献信息

• USE OF PROTECTED N-HYDROXYIMIDE DERIVATES AND TRANSITION METAL AS OXYGEN SCAVENGER SYSTEM IN TRANSPARENT POLYOLEFIN FILMS
  申请人：BASF SE

  公开号：US20170043931A1

  公开（公告）日：2017-02-16

  An oxygen-scavenging composition containing (I) a polymeric resin, (II) an organic oxidation additive based on a cyclic oxyimide, (III) a metal salt, preferably a transition metal salt, (IV) a sacrificial oxidizable substrate, and optionally, (V) an additional component; wherein components (I) and (IV) are different.
• A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME
  申请人：ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD.

  公开号：US20200212310A1

  公开（公告）日：2020-07-02

  The present disclosure relates to a plurality of host materials and organic electroluminescent devices comprising the same. The present disclosure may provide a plurality of host materials having a composition favorable to thermal denaturation due to a low deposition temperature, while improving hole properties and electronic properties of HOMO and LUMO, by comprising separate compounds represented by formulas 1 and 2 into a light-emitting layer. By comprising the plurality of host materials of the present disclosure, it is possible to provide an organic electroluminescent device having a lower driving voltage, higher luminous efficiency and/or longer lifetime.