benzyl 3,5-dimethylbenzoate | 928017-61-2

• 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: benzyl 3,5-dimethylbenzoate
• CAS: 928017-61-2
• 化学式: C₁₆H₁₆O₂
• 分子量: 240.302
• InChiKey: VQYFWEJDIBIBEP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3,5-二甲基溴苯 、 甲酸苄酯 在 palladium diacetate 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 tri tert-butylphosphoniumtetrafluoroborate 作用下， 以 邻二甲苯 为溶剂， 反应 24.0h， 以83%的产率得到benzyl 3,5-dimethylbenzoate
  参考文献：
  名称：

  钯催化的苄基苯甲酸酯的羰基化合成，采用苄基形式作为CO替代物和苄基醇源

  摘要：

  已经开发了一种有效且方便的钯催化羰基化反应，用于从芳基溴化物合成苯甲酸苄酯。苄基甲酸酯已被研究为一种新型的高效有用的CO来源。以良好至优异的产率获得了多种苯甲酸苄酯。

  DOI：

  10.1002/ejoc.201900700

文献信息

• Tributylphosphane-catalyzed Condensation of Alcohol and Carboxylic Acid with DCC Directed toward Rotaxane Synthesis
  作者：Yoshimasa Makita、Nobuhiro Kihara、Toshikazu Takata

  DOI：10.1246/cl.2007.102

  日期：2007.1

  Tributylphosphane (TBP) was found to act as an effective catalyst for direct condensation of carboxylic acid and alcohol with dicyclohexylcarbodiimide (DCC). Condensation using a DCC-TBP system was successfully applied in the preparation of rotaxanes.

  发现三丁基膦 (TBP) 是羧酸和醇与二环己基碳二亚胺 (DCC) 直接缩合的有效催化剂。使用 DCC-TBP 系统的缩合已成功应用于轮烷的制备。
• NOVEL ACTIVATORS OF GLUCOKINASE
  申请人：Tian Feng

  公开号：US20110294758A1

  公开（公告）日：2011-12-01

  The present invention provides for novel compounds of Formulas I and II and pharmaceutically acceptable salts and co-crystals thereof which have glucokinsae activator activity. The present invention further provides for pharmaceutical compositions comprising the same as well as methods of treating, preventing, delaying the time to onset or reducing the risk for the development or progression of a disease or condition for which one or more glucokinase activator is indicated, including Type 1 and 2 diabetes, impaired glucose tolerance, insulin resistance and hyperglycemia. The present invention also provides for processes of making the compounds of Formulas I and II, including salts and co-crystals thereof, and pharmaceutical compositions comprising the same.

  本发明提供了I和II式的新型化合物，以及其药学上可接受的盐和共晶体，具有葡萄糖激酶激活剂活性。本发明还提供了包括该化合物的制药组合物，以及治疗、预防、延迟发病时间或减少一种或多种葡萄糖激酶激活剂所指示的疾病或症状发展或进展的方法，包括1型和2型糖尿病、糖耐量受损、胰岛素抵抗和高血糖。本发明还提供了制备I和II式化合物（包括其盐和共晶体）以及包括该化合物的制药组合物的方法。
• Palladium-Catalyzed Benzylation of Carboxylic Acids with Toluene via Benzylic C–H Activation
  作者：Hongqiang Liu、Guangfa Shi、Shulei Pan、Yuyu Jiang、Yanghui Zhang

  DOI：10.1021/ol401687f

  日期：2013.8.16

  Direct benzylation of carboxylic acids with toluene has been developed via palladium-catalyzed C-H acyloxylation under 1 atm of oxygen. This reaction demonstrates good functional group tolerance and high yields, providing a facile, atom-economic, and efficient method for the synthesis of benzyl esters.
• Direct, Rapid and Convenient Synthesis of Esters and Thioesters Using PPh₃/<i>N</i>-Chlorobenzotriazole System
  作者：Hamed Rouhi-Saadabad、Batool Akhlaghinia

  DOI：10.5935/0103-5053.20130291

  日期：——

  We have developed an efficient method for esterification and thioesterification of various carboxylic acids with different alcohols and thiols using PPh3/N-chlorobenzotriazole mixed reagent in CH2Cl2 at room temperature.
• US8940927B2
  申请人：——

  公开号：US8940927B2

  公开（公告）日：2015-01-27