(diethyl phosphoric) 2-methylbenzoic anhydride | 74785-76-5

• 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: (diethyl phosphoric) 2-methylbenzoic anhydride
• 英文别名: diethoxyphosphoryl 2-methylbenzoate；2-CH3C6H4COOP(O)(OC2H5)2
• CAS: 74785-76-5
• 化学式: C₁₂H₁₇O₅P
• 分子量: 272.238
• InChiKey: LDPCCIRVXGHFEG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  18
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  diethyl tri-n-butylstannyl phosphate 、 邻甲基苯甲酰氯 以 四氯化碳 为溶剂， 以83%的产率得到(diethyl phosphoric) 2-methylbenzoic anhydride
  参考文献：
  名称：

  A method for the preparation of unesterified acyl phosphates via stannyl phosphate intermediates

  摘要：

  DOI：

  10.1021/ja00533a047

文献信息

• Environmentally sustainable production and application of acyl phosphates
  作者：Shengmei Guo、Sen Li、Wenjie Yan、Zhibin Liang、Zhengjiang Fu、Hu Cai

  DOI：10.1039/d0gc02370a

  日期：——

  versatile and environmentally friendly synthetic method for the formation of acyl phosphates is reported. By employing electrochemical oxidative dehydrogenative coupling, this transformation features a broad range of substrates, as well as metal-free, oxidant-free and mild conditions. One-pot synthesis of amides from acyl phosphates with amines was accomplished with high efficiency and regioselectivity,

  报道了一种用于形成酰基磷酸酯的通用且环境友好的合成方法。通过采用电化学氧化脱氢偶联，这种转变具有广泛的底物，以及无金属，无氧化剂和温和的条件。在室温下2小时之内，无需使用任何额外的催化剂和添加剂即可从酰基磷酸酯与胺进行一锅合成，实现了高效率和区域选择性。根据控制实验提出了该机理。
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Sn: Org.Comp.12, 1.4.1.1.1.5.14, page 215 - 220
  作者：

  DOI：——

  日期：——
• TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE
  申请人：Sunshine Lake Pharma Co., Ltd.

  公开号：EP3256468A1

  公开（公告）日：2017-12-20
• [EN] TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE<br/>[FR] COMPOSÉS TRYCICLIQUES ET UTILISATIONS DE CEUX-CI EN MÉDECINE
  申请人：SUNSHINE LAKE PHARMA CO LTD

  公开号：WO2016127924A1

  公开（公告）日：2016-08-18

  The present invention relates to novel tricyclic compounds which can bind to FXR and act as modulators of the FXR, or a stereoisomer, a geometric isomer, a tautomer, an N-oxide, a hydrate, a solvate, a metabolite, a pharmaceutically acceptable salt or a prodrug thereof, and the uses of the compounds for the treatment of diseases and/or conditions mediated by FXR. The invention further provides a pharmaceutical composition containing the compound disclosed herein and a method of treatment of diseases and/or conditions mediated by FXR comprising administering the compound or the pharmaceutical composition.