2,2'-二羟基-3,3'-二甲基二苯甲酮 | 96359-83-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2,2'-二羟基-3,3'-二甲基二苯甲酮
• 英文名称: bis (3-methyl-2-hydroxyphenyl) methyl
• 英文别名: 2,2'-dihydroxy-3,3'-dimethyl-benzophenone；2,2'-Dihydroxy-3,3'-dimethyl-benzophenon；Bis(2-hydroxy-3-methylphenyl)methanone
• CAS: 96359-83-0
• 化学式: C₁₅H₁₄O₃
• 分子量: 242.274
• InChiKey: MWPHLYLICJEGQE-UHFFFAOYSA-N

物化性质

• 熔点：
  93-94 °C(Solv: ligroine (8032-32-4))
• 沸点：
  200-220 °C(Press: 10 Torr)
• 密度：
  1.230±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 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：

  2,2'-二羟基-3,3'-二甲基二苯甲酮 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 2,2'-二羟基-3,3'-二甲基二苯甲酮
  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

• Bicyclic Bridgehead Phosphoramidite-Based Hybrid Diphosphorus Ligands: Design, Synthesis, and Application in Catalytic Asymmetric Hydrogenation
  作者：Hong-Quan Du、Xiang-Ping Hu

  DOI：10.1021/acs.orglett.1c02978

  日期：2021.10.1

  A strategy for chiral ligand design has been developed that allows for incorporation of an achiral bicyclic bridgehead phosphoramidite to generate a class of hybrid diphosphorus ligands for high activity and asymmetric control. Using this concept, a series of chiral phosphine–phosphoramidite ligands bearing the sole chirality at the ligand backbone have been prepared and successfully employed in the

  已经开发了一种手性配体设计策略，该策略允许掺入非手性双环桥头亚磷酰胺以生成一类用于高活性和不对称控制的杂化二磷配体。利用这一概念，制备了一系列在配体骨架上具有唯一手性的手性膦-亚磷酰胺配体，并成功地用于 Rh 催化的 2-乙烯基苯胺不对称氢化，以合成带有邻叔苄基的旋光苯胺。立体中心。
• Strating; Backer, Recueil des Travaux Chimiques des Pays-Bas, 1943, vol. 62, p. 57,60
  作者：Strating、Backer

  DOI：——

  日期：——
• 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.
• CLATHRATE COMPOUND, METHOD OF CONTROLLING CONCENTRATION OF AQUEOUS SOLUTION OF AGRICULTURAL-CHEMICAL ACTIVE INGREDIENT, AND AGRICULTURAL-CHEMICAL PREPARATION
  申请人：NIPPON SODA CO., LTD.

  公开号：EP1767090B1

  公开（公告）日：2015-08-12
• Clathrate Compound, Method for Controlling Concentration of Aqueous Agricultural Chemical Active Ingredient Solution, and Agricultural Chemical Formulation
  申请人：Amanokura Natsuki

  公开号：US20070281929A1

  公开（公告）日：2007-12-06

  The present invention provides a clathrate compound characterized by containing: a polymolecular host compound as a host compound; and an agricultural chemical active ingredient having a saturated solubility in water at 25° C. of not less than 500 ppm as a guest compound. The present invention also provides a method for controlling the concentration of an aqueous agricultural chemical active ingredient solution, characterized by containings a step of including an agricultural chemical active ingredient having high saturated solubility in an interior space formed of a polymolecular host compound, thereby maintaining the saturated solubility of the agricultural chemical active ingredient in water within a predetermined concentration range. The present invention also provides an agricultural chemical formulation containing the clathrate compound. The present invention also provides an agricultural active composition containing the clathrate compound and a synthetic pyrethroid.