5,5-dimethyl-3-(2-phenylethyl)-4H-1,2-oxazole | 1024596-51-7

• 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: 5,5-dimethyl-3-(2-phenylethyl)-4H-1,2-oxazole
• CAS: 1024596-51-7
• 化学式: C₁₃H₁₇NO
• 分子量: 203.284
• InChiKey: FGXOKZNHSFKFHG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  21.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  5-甲基-1-苯基己-5-烯-3-酮肟 在 aluminium(III) triflate 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 以73%的产率得到5,5-dimethyl-3-(2-phenylethyl)-4H-1,2-oxazole
  参考文献：
  名称：

  Aluminium triflate-catalysed regioselective cycloisomerisation of non-activated unsaturated oximes

  摘要：

  A novel cycloisomerisation of oximes bearing non-activated C-C double bonds occurs in an Al(III)-catalysed reaction. This process leads to 5-,6- and 7-membered ring oxygen and nitrogen-containing heterocycles in good yields. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.02.070

文献信息

• Isoxazoline Derivatives and Their Use as Herbicides
  申请人：Plant Andrew

  公开号：US20080139390A1

  公开（公告）日：2008-06-12

  Compounds of formula (I) wherein the substituents are as defined in claim 1 , are suitable for use as herbicides. Also claimed is a process for the preparation of compounds of the formula I, wherein m is 2 and n is 1, and the other substituents are defined as in claim 1 , formula (Ia) by reacting a compound of the formula Ia in a single step or stepwise in succession with compounds of the formula R 5 —X and/or R 6 —X, wherein R 5 and R 6 are as defined in claim 1 , and X is a leaving group, and a process for the preparation of compounds of the formula I, wherein R 6 is C 1 -C 10 alkyl or halogen, m is 2 and n is 1, and the other substituents are defined as in claim 1 , formula (Ib) by reacting a compound of the formula Ib with a compound of the formula R 5 —X, wherein R 5 is as defined in claim 1 , and X is a leaving group, and a process for the preparation of compounds of the formula I, wherein R 5 is chlorine, bromine or iodine, m is 1 or 2, and n is 1, and the other substituents are defined as in claim 1 , formula (Ic) by reacting a compound of the formula 1e with an N-halosuccinimide and an oxidising agent.

  式(I)的化合物中，取代基的定义如权利要求1所述，适用于用作除草剂。此外，还声明了一种制备式(I)化合物的方法，其中m为2，n为1，其他取代基的定义如权利要求1所述，式(Ia)，通过将式(Ia)的化合物与式R5—X和/或式R6—X的化合物进行单步或连续逐步反应，其中R5和R6的定义如权利要求1所述，X是离去基团；以及一种制备式(I)化合物的方法，其中R6是C1-C10烷基或卤素，m为2，n为1，其他取代基的定义如权利要求1所述，式(Ib)，通过将式(Ib)的化合物与式R5—X的化合物反应，其中R5的定义如权利要求1所述，X是离去基团；以及一种制备式(I)化合物的方法，其中R5是氯，溴或碘，m为1或2，n为1，其他取代基的定义如权利要求1所述，式(Ic)，通过将式1e的化合物与N-卤代琥珀酰亚胺和氧化剂反应。
• US8680290B2
  申请人：——

  公开号：US8680290B2

  公开（公告）日：2014-03-25
• Aluminium triflate-catalysed regioselective cycloisomerisation of non-activated unsaturated oximes
  作者：Xavier Chaminade、Shunsuke Chiba、Koichi Narasaka、Elisabet Dunach

  DOI：10.1016/j.tetlet.2008.02.070

  日期：2008.4

  A novel cycloisomerisation of oximes bearing non-activated C-C double bonds occurs in an Al(III)-catalysed reaction. This process leads to 5-,6- and 7-membered ring oxygen and nitrogen-containing heterocycles in good yields. (C) 2008 Elsevier Ltd. All rights reserved.