2,2-Dihydroxy-1-(4-morpholinophenyl)ethan-1-one | 852633-82-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,2-Dihydroxy-1-(4-morpholinophenyl)ethan-1-one
• 英文别名: 2,2-dihydroxy-1-(4-morpholin-4-ylphenyl)ethanone
• CAS: 852633-82-0
• 化学式: C₁₂H₁₅NO₄
• 分子量: 237.255
• InChiKey: QXEMBHBQSAPWAM-UHFFFAOYSA-N

物化性质

• 沸点：
  446.1±45.0 °C(Predicted)
• 密度：
  1.320±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  70
• 氢给体数：
  2
• 氢受体数：
  5

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  2,2-Dihydroxy-1-(4-morpholinophenyl)ethan-1-one 、 2-氨基苯硫醇 在 碘 、 potassium hydroxide 作用下， 以 水 、 二甲基亚砜 为溶剂， 生成
  参考文献：
  名称：

  Design and Synthesis of 2-Acylbenzothiazoles via In Situ Cross-Trapping Strategy from Benzothiazoles with Aryl Ketones

  摘要：

  An I-2/KOH synergistically promoted direct ring-opening aroylation of benzothiazoles with aryl ketones has been discovered. Aryl ketones were seen to act as carbonyl sources to construct 2-acylbenzothiazoles. This reaction could provide an example for the convergent integration of self-labor domino sequences based on an in situ cross-trapping strategy.

  DOI：

  10.1021/jo302754c
• 作为产物：
  描述：

  4-(4-吗啉基)苯乙酮 在 碘 作用下， 以 二甲基亚砜 为溶剂， 生成 2,2-Dihydroxy-1-(4-morpholinophenyl)ethan-1-one
  参考文献：
  名称：

  Metal-free dual sp3 C–H functionalization: I2-promoted domino oxidative cyclization to construct 2,5-disubstituted oxazoles

  摘要：

  An I-2-promoted sp(3) C-H functionalization has been developed for the synthesis of 2,5-disubstituted oxazoles from easily available methyl ketones and benzylamines without any metal and peroxide catalyst. This domino oxidative cyclization process involves the cleavage of C H bond and the formation of C-N, C-O bonds. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.10.072

文献信息

• Metal-free dual sp3 C–H functionalization: I2-promoted domino oxidative cyclization to construct 2,5-disubstituted oxazoles
  作者：Qing-He Gao、Zhuan Fei、Yan-Ping Zhu、Mi Lian、Feng-Cheng Jia、Mei-Cai Liu、Neng-Fang She、An-Xin Wu

  DOI：10.1016/j.tet.2012.10.072

  日期：2013.1

  An I-2-promoted sp(3) C-H functionalization has been developed for the synthesis of 2,5-disubstituted oxazoles from easily available methyl ketones and benzylamines without any metal and peroxide catalyst. This domino oxidative cyclization process involves the cleavage of C H bond and the formation of C-N, C-O bonds. (C) 2012 Elsevier Ltd. All rights reserved.
• Design and Synthesis of 2-Acylbenzothiazoles via In Situ Cross-Trapping Strategy from Benzothiazoles with Aryl Ketones
  作者：Qinghe Gao、Xia Wu、Fengcheng Jia、Meicai Liu、Yanping Zhu、Qun Cai、Anxin Wu

  DOI：10.1021/jo302754c

  日期：2013.3.15

  An I-2/KOH synergistically promoted direct ring-opening aroylation of benzothiazoles with aryl ketones has been discovered. Aryl ketones were seen to act as carbonyl sources to construct 2-acylbenzothiazoles. This reaction could provide an example for the convergent integration of self-labor domino sequences based on an in situ cross-trapping strategy.