(2-hydroxy-3-methylphenyl)(2-hydroxyphenyl)methanone | 1323153-37-2

• 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-hydroxy-3-methylphenyl)(2-hydroxyphenyl)methanone
• 英文别名: (2-Hydroxy-3-methylphenyl)-(2-hydroxyphenyl)methanone；(2-hydroxy-3-methylphenyl)-(2-hydroxyphenyl)methanone
• CAS: 1323153-37-2
• 化学式: C₁₄H₁₂O₃
• 分子量: 228.247
• InChiKey: QMQCEYVGSBKMKE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (2-hydroxy-3-methylphenyl)(2-hydroxyphenyl)methanone 在 盐酸羟胺 作用下， 以 乙醇 为溶剂， 反应 6.0h， 生成
  参考文献：
  名称：

  杂环合成中的氧杂蒽酮。一种合成 C-3 邻羟基芳基取代的 1,2-苯并异恶唑及其 N-氧化物、血管紧张素 (II) 拮抗剂杂合肽的潜在支架的有效途径

  摘要：

  Regioselective substitution of xanthone and its nucleophilic cleavage allow the synthesis of C-3 o-hydroxyaryl substituted 1,2-benzisoxazoles or their N-oxides by cyclodehydration or oxidative cyclization of their corresponding ketoxime precursors, respectively. Molecular modeling analysis and H-1 NMR spectra indicate an intramolecular H-bonding engaging phenol OH and the isoxazole ring N atom.

  DOI：

  10.3987/com-11-12162
• 作为产物：
  描述：

  占吨酮 在 正丁基锂 、 氯化亚砜 、 potassium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 四氢维洛林 、 水 、 二甲基亚砜 、 N,N-二甲基甲酰胺 为溶剂， 反应 9.0h， 生成 (2-hydroxy-3-methylphenyl)(2-hydroxyphenyl)methanone
  参考文献：
  名称：

  杂环合成中的氧杂蒽酮。一种合成 C-3 邻羟基芳基取代的 1,2-苯并异恶唑及其 N-氧化物、血管紧张素 (II) 拮抗剂杂合肽的潜在支架的有效途径

  摘要：

  Regioselective substitution of xanthone and its nucleophilic cleavage allow the synthesis of C-3 o-hydroxyaryl substituted 1,2-benzisoxazoles or their N-oxides by cyclodehydration or oxidative cyclization of their corresponding ketoxime precursors, respectively. Molecular modeling analysis and H-1 NMR spectra indicate an intramolecular H-bonding engaging phenol OH and the isoxazole ring N atom.

  DOI：

  10.3987/com-11-12162

文献信息

• NOVEL CHIRAL METAL COMPLEX AND USE THEREOF FOR ANALYZING CHIRALITY OF CHARGED COMPOUND BY 1H NMR SPECTROSCOPY
  申请人：KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY

  公开号：US20170052131A1

  公开（公告）日：2017-02-23

  Provided are novel ligand, a chiral metal complex including the same, and a use of the chiral metal complex for analyzing the chirality of a charged compound by 1 H NMR spectroscopy. The chiral metal complex of the present invention may be used as the chiral solvating agent to conveniently analyze the optical purity of charged compounds such as various amine derivatives, carboxylic acid derivatives, cyanohydrin derivatives and charged metal complexes by 1 H NMR spectroscopy.

  本发明提供了一种新型配体，包括该配体的手性金属配合物，以及利用该手性金属配合物通过1H NMR光谱分析带电化合物的手性的用途。本发明的手性金属配合物可用作手性溶剂化剂，方便地通过1H NMR光谱分析各种胺衍生物、羧酸衍生物、氰醇衍生物和带电金属配合物等带电化合物的光学纯度。
• Synthesis of V‐Shaped Bis‐coumarins through Aldol Reaction/Double Lactonization Cascade Reaction from Bis(2‐hydroxyphenyl)methanone and Meldrum's Acid
  作者：Ding Wang、Zhishuang Ma、Jin Xi、Nana Wang、Tao Wang、Yong Liang、Zunting Zhang

  DOI：10.1002/ejoc.202101489

  日期：2022.4.5

  A concise and efficient method was developed for the synthesis of chromeno[3,4- c ]chromene-6,7-dione using readily available bis(2-hydroxyphenyl)methanone and Meldrum's acid. The protocol displays a broad substrate scope and good functional group tolerance, including alkyl, alkoxyl, aryl and halogens. These π-extended scaffolds showed blue-green fluorescence with a large Stokes shift. The photophysical

  使用容易获得的双（2-羟基苯基）甲酮和 Meldrum 酸，开发了一种用于合成色烯[3,4-c]色烯-6,7-二酮的简洁有效的方法。该协议显示了广泛的底物范围和良好的官能团耐受性，包括烷基、烷氧基、芳基和卤素。这些 π 延伸的支架显示出具有大斯托克斯位移的蓝绿色荧光。光物理研究表明，2 位取代的色烯[3,4-c]色烯-6,7-二酮引起了显着的红移。
• Xanthones in Heterocyclic Synthesis. An Efficient and General Route for the Synthesis of Regioselectively Substituted Phthalazines
  作者：Petros G. Tsoungas、Paul Cordopatis、Yiannis Gardikis、Constantinos Potamitis、Maria Zervou、George Pairas

  DOI：10.3987/com-11-12168

  日期：——

  Xanthone undergoes regioselective substitution and nucleophically triggered ring opening to the corresponding ketone. Hydrazone of the latter oxidatively rearranges to ortho-diacylarenes, which, then, with hydrazine gives regioselectively substituted phthalazines. Molecular modeling analysis and H-1 NMR spectra indicate an intramolecular H-bonding engaging phenol OH and phthalazine N-3 atom.
• US9851314B2
  申请人：——

  公开号：US9851314B2

  公开（公告）日：2017-12-26
• Xanthones in Heterocyclic Synthesis. An Efficient Route for the Synthesis of C-3 o-Hydroxyaryl Substituted 1,2-Benzisoxazoles and Their N-Oxides, Potential Scaffolds for Angiotensin(II) Antagonist Hybrid Peptides
  作者：Petros G. Tsoungas、Paul Cordopatis、Yiannis Gardikis、Constantinos Potamitis、Maria Zervou

  DOI：10.3987/com-11-12162

  日期：——

  Regioselective substitution of xanthone and its nucleophilic cleavage allow the synthesis of C-3 o-hydroxyaryl substituted 1,2-benzisoxazoles or their N-oxides by cyclodehydration or oxidative cyclization of their corresponding ketoxime precursors, respectively. Molecular modeling analysis and H-1 NMR spectra indicate an intramolecular H-bonding engaging phenol OH and the isoxazole ring N atom.