[9-Butyl-8-(3,4,5-trimethoxyphenyl)sulfanylpurin-6-yl]imino-triphenyl-lambda5-phosphane | 827302-41-0

• 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: [9-Butyl-8-(3,4,5-trimethoxyphenyl)sulfanylpurin-6-yl]imino-triphenyl-lambda5-phosphane
• 英文别名: [9-butyl-8-(3,4,5-trimethoxyphenyl)sulfanylpurin-6-yl]imino-triphenyl-λ5-phosphane
• CAS: 827302-41-0
• 化学式: C₃₆H₃₆N₅O₃PS
• 分子量: 649.753
• InChiKey: MAFFQTNUJMAHEK-UHFFFAOYSA-N

物化性质

• 沸点：
  794.8±70.0 °C(Predicted)
• 密度：
  1.24±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  46
• 可旋转键数：
  12
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  109
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  [9-Butyl-8-(3,4,5-trimethoxyphenyl)sulfanylpurin-6-yl]imino-triphenyl-lambda5-phosphane 在 aluminum oxide 、 Oxone 、 水 、 溶剂黄146 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 5.0h， 生成 9-Butyl-8-(3,4,5-trimethoxybenzene-1-sulfinyl)-9H-purin-6-amine
  参考文献：
  名称：

  Synthesis of 8-arylsulfoxyl/sulfonyl adenines

  摘要：

  We report a method for the synthesis of 9-N-alkyl-8-arylsulfoxyl adenines and 9-N-alkyl-8-arylsulfonyl adenines. The approach starts with a tandem one-pot reaction that by using Mitsunobu conditions converts 8-arylsulfanyl adenines to the corresponding iminophosphorane protected 9-N-alkyl-8-arylsulfanyl adenines. These compounds were further subjected to selective OXONE(R)/alumina mediated oxidation followed by deprotection of the amine leading to the desired sulfoxides and sulfones. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.11.009
• 作为产物：
  描述：

  三苯基膦 、 正丁醇 、 8-(3,4,5-trimethoxy-phenylsulfanyl)adenine 在 偶氮二甲酸二叔丁酯 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 以51%的产率得到[9-Butyl-8-(3,4,5-trimethoxyphenyl)sulfanylpurin-6-yl]imino-triphenyl-lambda5-phosphane
  参考文献：
  名称：

  Synthesis of 8-arylsulfoxyl/sulfonyl adenines

  摘要：

  We report a method for the synthesis of 9-N-alkyl-8-arylsulfoxyl adenines and 9-N-alkyl-8-arylsulfonyl adenines. The approach starts with a tandem one-pot reaction that by using Mitsunobu conditions converts 8-arylsulfanyl adenines to the corresponding iminophosphorane protected 9-N-alkyl-8-arylsulfanyl adenines. These compounds were further subjected to selective OXONE(R)/alumina mediated oxidation followed by deprotection of the amine leading to the desired sulfoxides and sulfones. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.11.009

文献信息

• Synthesis of 8-arylsulfoxyl/sulfonyl adenines
  作者：Laura Llauger、Huazhong He、Gabriela Chiosis

  DOI：10.1016/j.tetlet.2004.11.009

  日期：2004.12

  We report a method for the synthesis of 9-N-alkyl-8-arylsulfoxyl adenines and 9-N-alkyl-8-arylsulfonyl adenines. The approach starts with a tandem one-pot reaction that by using Mitsunobu conditions converts 8-arylsulfanyl adenines to the corresponding iminophosphorane protected 9-N-alkyl-8-arylsulfanyl adenines. These compounds were further subjected to selective OXONE(R)/alumina mediated oxidation followed by deprotection of the amine leading to the desired sulfoxides and sulfones. (C) 2004 Elsevier Ltd. All rights reserved.