3,3'-dimethoxy-benzilic acid | 4746-44-5

• 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: 3,3'-dimethoxy-benzilic acid
• 英文别名: 3,3'-Dimethoxy-benzilsaeure；hydroxy-bis(3-methoxy-phenyl)-acetic acid；3,3'-Dimethoxybenzilic Acid；Hydroxy-bis-(3-methoxyphenyl)acetic acid；2-hydroxy-2,2-bis(3-methoxyphenyl)acetic acid
• CAS: 4746-44-5
• 化学式: C₁₆H₁₆O₅
• 分子量: 288.3
• InChiKey: GHXIJKQZWGMYTA-UHFFFAOYSA-N

物化性质

• 沸点：
  474.8±45.0 °C(Predicted)
• 密度：
  1.273±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  76
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  hydroxy-bis(3-methoxy-phenyl)acetic acid (R)-1-aza-bicyclo[2.2.2]oct-3-yl ester 、 3,3'-dimethoxy-benzilic acid 、 2-羟基-2-(2-甲基苯基)-2-苯基-乙酸 生成 hydroxy-phenyl-o-tolyl-acetic acid (R)-1-aza-bicyclo[2.2.2]oct-3-yl ester
  参考文献：
  名称：

  Quinuclidine derivatives and their use as muscarinic M3 receptor antagonists

  摘要：

  公式（I）的化合物；以盐或双离子形式存在，其中R1、R2、R3和R4的含义如规范中所示，可用于治疗由肌肉型M3受体介导的疾病，尤其是炎症性或阻塞性呼吸道疾病。还描述了包含这些化合物的制药组合物和制备这些化合物的过程。

  公开号：

  US08084463B2
• 作为产物：
  描述：

  3,3'-二甲氧基安息香 在 potassium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 1.5h， 以52%的产率得到3,3'-dimethoxy-benzilic acid
  参考文献：
  名称：

  磁性磁铁矿纳米粒子催化空气中α-羟基酮的选择性氧化和一锅法合成苯甲酸和苯妥英衍生物

  摘要：

  已开发出一种清洁有效的方案，以磁性磁铁矿纳米粒子（Fe 3 O 4 ·MNPs）为催化剂，以空气为绿色氧化剂，选择性氧化α-羟基酮。Fe 3 O 4 ·MNPs在单锅合成苯甲酸和苯妥英衍生物中也被证明是成功的。简便的一锅法提高了生产效率，缩短了反应时间，并最大程度地减少了化学废物。值得注意的是，该催化剂可以重复使用至少五次，而没有任何明显的活性损失。

  DOI：

  10.1016/j.mcat.2018.05.013

文献信息

• A Facile and Solvent-Free Silica-Supported Route for the Preparation of Pyrazolium Salts and Its Catalytic Responses
  作者：Tamilarasan Ramalingam、Ganesan Kilivelu

  DOI：10.1002/jhet.2885

  日期：2017.9

  Synthesis of di/trimeric substituted pyrazolium salts was carried out under a conventional/solvent‐free silica‐supported muffle furnace method. The solid phase method observed remarkable response compared with the conventional method for the preparation of pyrazolium salts. Di/trimeric substituted pyrazolium salts acted as a very good catalyst for benzilic acid preparation while compared with existing

  二/三聚取代吡唑鎓盐的合成是在常规/无溶剂的二氧化硅支撑的马弗炉法下进行的。与制备吡唑鎓盐的常规方法相比，固相法观察到显着的响应。与现有文献相比，二/三聚取代的吡唑鎓盐对于制备苯甲酸是非常好的催化剂。
• PROCESS FOR THE PREPARATION OF SUBSTITUTED BENZILIC ACID FROM SUBSTITUTED BENZILS
  申请人：MESHRAM Harshadas Mitaram

  公开号：US20100249451A1

  公开（公告）日：2010-09-30

  The classical process for the rearrangement of substituted benzil to benzilic acid is performed in the presence of sodium or potassium hydroxide as a base using ethanol-ether as a medium. The reaction requires reflux temperature for complete conversion. However, these bases containing metallic ions and generate metallic containing effluent waste which may require additional expenditure for treatment. Moreover, because of corrosive nature of base, and use of flammable solvent, the safety measures are needed during large scale production. Another method also reported for benzilic acid rearrangement at 380° C. which is practically not feasible. The present invention describes the use of quaternary ammonium hydroxides as a base for the rearrangement of the substituted benzils to benzilc acids. It also avoids the use of solvent and reaction can be carried out at relatively lower temperatures. Because of the solvent free reaction condition it reduces the mass/volume of reaction mixture.

  将取代苯并二酮重排生成苯并甲酸的经典过程是在存在钠或钾氢氧化物作为碱的情况下，使用乙醇-醚作为介质进行的。该反应需要回流温度才能完全转化。然而，这些含有金属离子的碱会产生含金属废水，可能需要额外的费用进行处理。此外，由于碱的腐蚀性质和易燃溶剂的使用，在大规模生产过程中需要采取安全措施。另一种方法报告了在380°C下进行苯并甲酸重排，但实际上是不可行的。本发明描述了使用季铵氢氧化物作为取代苯并二酮重排生成苯并甲酸的碱。它还避免了溶剂的使用，反应可以在相对较低的温度下进行。由于无溶剂的反应条件，它减少了反应混合物的质量/体积。
• Organic Compounds
  申请人：Press Neil John

  公开号：US20090048281A1

  公开（公告）日：2009-02-19

  Compounds of Formula (I); in salt or zwitterionic form wherein R 1 , R 2 , R 3 and R 4 have the meanings as indicated in the specification, are useful for treating conditions that are mediated by the muscarinic M3 receptor, especially inflammatory or obstructive airways diseases. Pharmaceutical compositions that contain the compounds and a process for preparing the compounds are also described.

  式（I）的化合物；以盐或双电离形式存在，其中R1，R2，R3和R4具有规范中指示的含义，可用于治疗由肌肉型M3受体介导的疾病，尤其是炎症性或阻塞性呼吸道疾病。还描述了含有该化合物的制药组合物和制备该化合物的过程。
• QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC M3 RECEPTOR ANTAGONISTS
  申请人：Press Neil John

  公开号：US20100168132A1

  公开（公告）日：2010-07-01

  Compounds of Formula (I) ; in salt or zwitterionic form wherein R 1 , R 2 , R 3 and R 4 have the meanings as indicated in the specification, are useful for treating conditions that are mediated by the muscarinic M3 receptor, especially inflammatory or obstructive airways diseases. Pharmaceutical compositions that contain the compounds and a process for preparing the compounds are also described.

  式(I)的化合物；以盐或双电离形式存在，其中R1，R2，R3和R4的含义如规范中所示，对于治疗由肌肉型M3受体介导的情况，特别是炎症性或阻塞性气道疾病是有用的。还描述了包含这些化合物的制药组合物和制备这些化合物的过程。
• Quinuclidine derivatives and their use as muscarinic m3 receptor antagonists
  申请人：Novartis AG

  公开号：US07723356B2

  公开（公告）日：2010-05-25

  Compounds of Formula (I); in salt or zwitterionic form wherein R1, R2, R3 and R4 have the meanings as indicated in the specification, are useful for treating conditions that are mediated by the muscarinic M3 receptor, especially inflammatory or obstructive airways diseases. Pharmaceutical compositions that contain the compounds and a process for preparing the compounds are also described.

  式(I)的化合物；以盐或双电离形式存在，其中R1、R2、R3和R4的含义如规范所示，可用于治疗由肌肉型M3受体介导的疾病，特别是炎症性或阻塞性呼吸道疾病。还描述了含有该化合物的制药组合物和制备该化合物的方法。