2-(4-bromophenyl)oxetane | 25574-16-7

• 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: 2-(4-bromophenyl)oxetane
• 英文别名: 2-p-Bromphenyl-oxetan
• CAS: 25574-16-7
• 化学式: C₉H₉BrO
• 分子量: 213.074
• InChiKey: IGDUEYOZOWQMLC-UHFFFAOYSA-N

物化性质

• 沸点：
  267.3±28.0 °C(Predicted)
• 密度：
  1.496±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险性防范说明：
  P261,P264,P271,P280,P302+P352,P304+P340,P305+P351+P338,P312,P332+P313,P337+P313,P362,P403+P233,P405,P501
• 危险性描述：
  H315,H319,H335

反应信息

• 作为反应物：
  描述：

  2-(4-bromophenyl)oxetane 在 二丁基镁 、 频那醇硼烷 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以89%的产率得到4-溴-alpha-乙基苄醇
  参考文献：
  名称：

  通过选择性 CO 键活化环氧化物的区域发散性硼氢化环开环

  摘要：

  提出了镁催化的区域发散 C-O 键裂解方案。容易获得的镁催化剂实现了多种环氧化物和氧杂环丁烷的选择性硼氢化反应，以优异的产率和区域选择性得到仲醇和叔醇。实验机理研究和 DFT 计算提供了对意外区域发散的洞察，并解释了 C-O 键活化和产物形成的不同机制。

  DOI：

  10.1021/jacs.0c05917
• 作为产物：
  描述：

  1-(4-溴苯基)-3-氯-1-丙醇 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以376 mg的产率得到2-(4-bromophenyl)oxetane
  参考文献：
  名称：

  EP3187498

  摘要：

  公开号：

文献信息

• Gold-catalyzed [4+3] and [4+4]-annulation reactions of t-butyl propiolate derivatives with epoxides and oxetanes for the construction of 1,4-dioxepane and 1,5-dioxocane cores
  作者：Rajkumar Lalji Sahani、Rai-Shung Liu

  DOI：10.1039/c6cc02124g

  日期：——

  Gold-catalyzed [4+n]-annulations (n = 3, 4) of tert-butyl propiolate derivatives with epoxides or oxetanes proceed smoothly to yield seven- or eight-membered oxacyclic products efficiently. In the context of the [4+3]-annulations,...

  金催化的丙酸叔丁酯衍生物与环氧化物或氧杂环丁烷的[4 + n]环（n = 3、4）平稳地进行，以有效地产生七元或八元的氧杂环产物。在[4 + 3]环的上下文中，...
• Strong acid-catalyzed electrophilic ring expansion of oxetanes and sulfoxonium ylides
  作者：Wenhao Yuan、Wenlai Xie、Jiaxi Xu

  DOI：10.1016/j.mcat.2021.111687

  日期：2021.6

  A strong protic acid-catalyzed electrophilic ring expansion of oxetanes into trans-2,3-disubstituted tetrahydrofuran derivatives using sulfoxonium ylides has been developed. This reaction produces functionalized trans-2,3-disubstituted tetrahydrofuran derivatives stereospecifically by using safe and stable sulfoxonium ylides without metal catalysts and the protection of inert gas.

  已经开发了使用 sulfoxonium ylides将氧杂环丁烷的强质子酸催化亲电子环扩展成反式-2,3-二取代四氢呋喃衍生物。该反应使用安全稳定的锍叶立德，在没有金属催化剂和惰性气体保护的情况下，立体定向地产生官能化的反式-2,3-二取代四氢呋喃衍生物。
• Gold- and Silver-Catalyzed [4+2] Cycloadditions of Ynamides with Oxetanes and Azetidines
  作者：Samir Kundlik Pawar、Dhananjayan Vasu、Rai-Shung Liu

  DOI：10.1002/adsc.201400024

  日期：2014.8.11

  AbstractGold‐catalyzed [4+2] cycloadditions between ynamides and oxetanes are described; these reactions involve oxetanes and gold‐π‐ynamides as nucleophiles and electrophiles, respectively. Excellent cycloaddition regioselectivities are achieved over a reasonable range of ynamide and oxetane substrates. For azetidines, their [4+2] cycloadditions with ynamides are implemented more efficiently with silver hexafluoroantimonate, which is also compatible with various ynamides and azetidines. These two cycloadditions provide facile accesses to six‐membered heterocycles such as 6‐amino‐3,4‐dihydro‐2H‐pyrans and 2‐amino‐1,4,5,6‐tetrahydropyridines.magnified image
• AZAINDOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY
  申请人：Shionogi & Co., Ltd.

  公开号：US20170273955A1

  公开（公告）日：2017-09-28

  Disclosed is a compound which is useful as an AMPK activator. A compound represented by formula: or its pharmaceutically acceptable salt, wherein X is substituted or unsubstituted alkyl, substituted or unsubstituted alkenyl, substituted or unsubstituted alkynyl, substituted or unsubstituted aryl, substituted or unsubstituted heteroaryl, substituted or unsubstituted cycloalkyl, substituted or unsubstituted cycloalkenyl, or substituted or unsubstituted heterocyclyl; R 1 is hydrogen, halogen, cyano, nitro, carboxy, substituted or unsubstituted alkyl, substituted or unsubstituted alkenyl, substituted or unsubstituted acyl, substituted or unsubstituted carbamoyl, substituted or unsubstituted alkylthio, substituted or unsubstituted alkylsulfinyl, substituted or unsubstituted alkylsulfonyl, or substituted or unsubstituted alkyloxycarbonyl; R 2 is halogen, substituted or unsubstituted alkyl, substituted or unsubstituted alkenyl, substituted or unsubstituted alkynyl, substituted or unsubstituted aryl, substituted or unsubstituted heteroaryl, substituted or unsubstituted cycloalkyl, substituted or unsubstituted cycloalkenyl, substituted or unsubstituted heterocyclyl, or the like; R 3 is halogen, hydroxy, cyano, nitro, carboxy, substituted or unsubstituted alkyl, substituted or unsubstituted alkenyl, substituted or unsubstituted alkynyl, substituted or unsubstituted aryl, substituted or unsubstituted heteroaryl, substituted or unsubstituted cycloalkyl, substituted or unsubstituted cycloalkenyl, substituted or unsubstituted heterocyclyl, or the like; and R 4 is hydrogen, halogen, hydroxy, cyano, nitro, carboxy, substituted or unsubstituted alkyl, substituted or unsubstituted alkenyl, substituted or unsubstituted alkynyl, or the like.
• US9980948B2
  申请人：——

  公开号：US9980948B2

  公开（公告）日：2018-05-29