| 1404575-83-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• CAS: 1404575-83-2
• 化学式: C₁₃H₁₈O₄
• 分子量: 238.284
• InChiKey: IOPKQNVYSKGRKM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.47
• 重原子数：
  17.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  47.92
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  在 碘苯二乙酸 作用下， 以 二氯甲烷 、 甲苯 、 乙腈 为溶剂， 反应 15.5h， 生成
  参考文献：
  名称：

  二氮杂双环 [2.2.2] 辛烯酮的光诱导脱羰基重排：二氮杂双环 [4.1.0] 庚烯骨架的光化学方法来自掩蔽的邻苯醌

  摘要：

  我们报告了二氮杂双环 [2.2.2] 辛烯酮的光诱导脱羰基重排，用于轻松合成功能化二氮杂双环 [4.1.0] 庚烯骨架，这是氢哒嗪类结构的独特衍生物，可在多种具有生物活性的天然产物中找到. 通过利用掩蔽邻苯醌的 Diels-Alder 反应中的杂双环 [2.2.2] 结构的容易获得性，检查了光反应中官能团相容性的范围。4-苯基-1,2,4-三唑啉-3,5-二酮作为亲二烯体，在随后的光重排六氢哒嗪类产物中提供相邻的N-N单元。

  DOI：

  10.1021/acs.joc.2c02373

文献信息

• Tandem Oxidative Phenol Dearomatization/Formal [3+2] Annulation Protocol En Route to Highly Functionalized Benzothiophenes
  作者：Santhosh Chittimalla、Chennakesavulu Bandi

  DOI：10.1055/s-0036-1588415

  日期：——

  A new strategy for the synthesis of benzothiophenes through formal [3+2] annulation of sulfanylacetaldehyde and cyclohexa-2,4-dien-1-one monoketals has been developed. This approach relies on the ease of aromatization of tetrahydrobenzothiophenone derivatives prepared by the aforementioned protocol. Given the ready accessibility of various substituted cyclohexa-2,4-dien-1-one monoketals, a range of

  已经开发了一种通过磺基乙醛和环己-2,4-二烯-1-酮的正式[3+2]环化合成苯并噻吩的新策略。这种方法依赖于上述协议制备的四氢苯并噻吩衍生物易于芳构化。鉴于各种取代的 cyclohexa-2,4-dien-1-one 单缩酮很容易获得，一系列苯并噻吩衍生物变得可用。
• α-Halogenation as a Strategy to Functionalize Cyclohexa-2,4-dienones
  作者：Santhosh Chittimalla、Manikandan Koodalingam、Vinod Gadi、Prasad Anaspure

  DOI：10.1055/s-0036-1588359

  日期：——

  A facile pyridine-mediated α-halogenation approach to functionalize cyclohexa-2,4-dienones is developed. A range of reactions, including organometallic coupling protocols, have been applied on these newly obtained halogenated cyclohexa-2,4-dienones, and the results are presented herein.

  开发了一种简便的吡啶介导的 α-卤化方法来功能化环六-2,4-二烯酮。一系列反应，包括有机金属偶联方案，已应用于这些新获得的卤化环六-2,4-二烯酮，结果在本文中呈现。
• Unanticipated participation of HCl in nucleophilic chlorination reaction: expedient route to meta chlorophenols
  作者：Santhosh Kumar Chittimalla、Chennakesavulu Bandi

  DOI：10.1016/j.tetlet.2015.11.012

  日期：2016.1

  o-Quinone monoketals participated in a 1,4-addition reaction with HCl furnishing m-chlorophenols in high yields. Several readily available o-quinone monoketals were selected to display the generality of this serendipitous and unprecedented reaction and the results are presented herein. (C) 2015 Elsevier Ltd. All rights reserved.
• A Detour Route for meta Functionalization of Phenols
  作者：Santhosh Chittimalla、Rajesh Kuppusamy、Chennakesavulu Bandi

  DOI：10.1055/s-0034-1378395

  日期：——

  Cyclohexadienones participate in a two-step procedure, a Michael addition followed by aromatization, providing hitherto difficult-to-synthesize meta-functionalized phenol derivatives in good yield. Application of the developed approach is exemplified by synthesizing C-aryl acetophenones, C-aryl glycines, and elemicin - an allylphenol natural product.
• [3+2] Cycloaddition of Masked o-Benzoquinones with Azomethine Ylides
  作者：Santhosh Chittimalla、Rajesh Kuppusamy、Anjan Chakrabarti

  DOI：10.1055/s-0031-129043

  日期：2012.8

  A simple and efficient access to highly functionalized isoindolone derivatives via a [3+2] cycloaddition process between in situ generated azomethine ylides with various stable (isolable) masked o-benzoquinones is described. This approach allows a rapid and general synthesis of isoindolones with substituents to further manipulate and elaborate the structural complexity.