2,6-dimethylphenyl diethyl phosphate | 39604-15-4

• 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: 2,6-dimethylphenyl diethyl phosphate
• 英文别名: Meta-Xylenyl-Diethyl Phosphate；(2,6-dimethylphenyl) diethyl phosphate
• CAS: 39604-15-4
• 化学式: C₁₂H₁₉O₄P
• 分子量: 258.254
• InChiKey: PLBWSRMFMUZWKN-UHFFFAOYSA-N

物化性质

• 沸点：
  304.9±42.0 °C(Predicted)
• 密度：
  1.111±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,6-dimethylphenyl diethyl phosphate 在 氢化钾 、 potassium amide 作用下， 以 乙醚 、 氨 为溶剂， 以95%的产率得到2,6-二甲基苯胺
  参考文献：
  名称：

  Substitution of oh with nh2 calix[4]arenes: An approach to the synthesis of aminocalixarenes

  摘要：

  From p-t-butylcalix[4]arene bis(diethylphosphate) ester(1), monodehydroxymonoamino-p-t-butylcalix[4]arene(3) and diamino-p-t-butylcalix[4]arene(4) were synthesized in liquid ammonia-co-solvent in the presence of KNH2. This is the first successful example for the substitution of the OH group with the NH2 group.

  DOI：

  10.1016/s0040-4039(00)91900-2
• 作为产物：
  描述：

  2,6-二甲基苯酚 以 吡啶 、 氨 为溶剂， 反应 22.0h， 生成 2,6-dimethylphenyl diethyl phosphate
  参考文献：
  名称：

  Reaction of triflates with potassium diethyl phosphite. Formation of phosphate esters

  摘要：

  DOI：

  10.1021/jo00165a019

文献信息

• Tf₂O-Promoted Activating Strategy of Phosphate Analogues: Synthesis of Mixed Phosphates and Phosphinate
  作者：Hai Huang、Jeffrey Ash、Jun Yong Kang

  DOI：10.1021/acs.orglett.8b02073

  日期：2018.8.17

  strategy of various phosphates has been developed. This method enables the facile synthesis of functional phosphates such as alkyl phosphates, aza phosphates, thiophosphate, and mixed diaryl phosphates. A transient phosphorylpyridin-1-ium species in situ generated from phosphates with Tf2O/pyridine readily undergoes a substitution reaction with diverse nucleophiles to form versatile phosphate compounds.

  已开发出各种磷酸盐的无金属，无毒氯化物试剂的活化策略。该方法使得能够容易地合成功能性磷酸盐，例如烷基磷酸盐，氮杂磷酸盐，硫代磷酸盐和混合的二芳基磷酸盐。由具有Tf 2 O /吡啶的磷酸盐原位产生的瞬时磷酰吡啶-1-鎓物质很容易与各种亲核试剂发生取代反应，形成通用的磷酸盐化合物。
• [EN] METAL-FREE DIRECT ARYLATION OF DIALKYL PHOSPHONATES FOR THE SYNTHESIS OF MIXED ALKYL ARYL PHOSPHONATES<br/>[FR] ARYLATION DIRECTE SANS MÉTAL DE PHOSPHONATES DE DIALKYLE POUR LA SYNTHÈSE DE PHOSPHONATES D'ARYLE ALKYLE MIXTES
  申请人：THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIV OF NEVADA LAS VE

  公开号：WO2019028391A1

  公开（公告）日：2019-02-07

  Provided herein are phosphates, thiophosphates, phosphonates, and phosphinates, methods of making same, and methods of using these compounds and methods for the generation of pharmaceutically relevant phosphate, phosphonate, and phosphinate analogs. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.

  本文提供了磷酸盐、硫代磷酸盐、膦酸盐和膦酸盐，以及制备这些化合物的方法，以及使用这些化合物和用于生成与药用相关的磷酸盐、膦酸盐和膦酸盐类似物的方法。此摘要旨在作为搜索特定领域的扫描工具，并不限制本发明。
• Metal-free direct arylation of dialkyl phosphonates for the synthesis of mixed alkyl aryl phosphonates
  申请人：The Board of Regents of the Nevada System of Higher Education on Behalf of the University of Nevada, Las Vegas

  公开号：US10927135B2

  公开（公告）日：2021-02-23

  Provided herein are phosphates, thiophosphates, phosphonates, and phosphinates, methods of making same, and methods of using these compounds and methods for the generation of pharmaceutically relevant phosphate, phosphonate, and phosphinate analogs. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.

  本发明提供了磷酸盐、硫代磷酸盐、膦酸盐和膦酸盐、其制造方法、使用这些化合物的方法以及生成药用磷酸盐、膦酸盐和膦酸盐类似物的方法。本摘要旨在作为在特定技术领域进行搜索的扫描工具，并非对本发明的限制。
• Dehydroxylation of phenols by cleavage of their diethyl phosphate esters with alkali metals in liquid ammonia
  作者：Roberto A. Rossi、Joseph F. Bunnett

  DOI：10.1021/jo00953a010

  日期：1973.6
• Stereoselective Synthesis of All-Carbon Tetrasubstituted Alkenes from In Situ Generated Ketenes and Organometallic Reagents
  作者：Wei You、Yan Li、M. Kevin Brown

  DOI：10.1021/ol400392r

  日期：2013.4.5

  Stereoselective synthesis of tetrasubstituted alkenes is a challenging problem in chemical synthesis. New protocols to access this Important, yet simple, structural motif are of fundamental significance because they are found In many valuable molecules and can be utilized in a variety of Important complexity building chemical transformations. The two-step strategy presented herein involves stereoselective generation of an alkenyl pseudohalide followed by a stereospecific metal-catalyzed cross-coupling.