1-methyl-3-pentafluorophenylbenzene-1,3-dicarboxylate | 185683-81-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: 1-methyl-3-pentafluorophenylbenzene-1,3-dicarboxylate
• 英文别名: Methyl pentafluorophenyl benzene-1,3-dicarboxylate；1-O-methyl 3-O-(2,3,4,5,6-pentafluorophenyl) benzene-1,3-dicarboxylate
• CAS: 185683-81-2
• 化学式: C₁₅H₇F₅O₄
• 分子量: 346.21
• InChiKey: HEOVDQLMLFARLI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  1-methyl-3-pentafluorophenylbenzene-1,3-dicarboxylate 在 sodium hydroxide 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 甲醇 、 二氯甲烷 、 氯仿 、 水 为溶剂， 生成
  参考文献：
  名称：

  Macrocyclic oligomers of isophthalic acid and trans-1,2-diaminocyclohexane — building blocks for synthetic peptide receptors

  摘要：

  New macrocyclic oligomers of isophthalic acid and trans-1,2-diaminocyclohexane are readily prepared and useful in the synthesis of new, sequence-selective receptors for peptides. Such receptors have a simple, two-armed structural motif and the peptide sequences they bind vary with the ring size of the macrocyclic arms. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0040-4039(96)02040-0
• 作为产物：
  描述：

  五氟苯酚 、 间苯二甲酸单甲酯 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 2.5h， 以92%的产率得到1-methyl-3-pentafluorophenylbenzene-1,3-dicarboxylate
  参考文献：
  名称：

  Chemoselective Synthesis of β-Ketophosphonates Using Lithiated α-(Trimethylsilyl)methylphosphonate

  摘要：

  A highly chemoselective synthesis of beta-ketophosphonates from pentafluorophenyl esters and lithiated methyl alpha-(trimethylsilyl)methylphosphonate has been developed. This mild lithiated phosphonate reagent allows the synthesis of functionalized beta-ketophosphonates in the presence of unactivated esters with high yields. This method has been compared with the standard lithiated methylphosphonate reagent.

  DOI：

  10.1021/acs.joc.5b00039

文献信息

• Chemoselective Synthesis of β-Ketophosphonates Using Lithiated α-(Trimethylsilyl)methylphosphonate
  作者：Simon Specklin、Janine Cossy

  DOI：10.1021/acs.joc.5b00039

  日期：2015.3.20

  A highly chemoselective synthesis of beta-ketophosphonates from pentafluorophenyl esters and lithiated methyl alpha-(trimethylsilyl)methylphosphonate has been developed. This mild lithiated phosphonate reagent allows the synthesis of functionalized beta-ketophosphonates in the presence of unactivated esters with high yields. This method has been compared with the standard lithiated methylphosphonate reagent.
• Macrocyclic oligomers of isophthalic acid and trans-1,2-diaminocyclohexane — building blocks for synthetic peptide receptors
  作者：Zhengying Pan、W.Clark Still

  DOI：10.1016/s0040-4039(96)02040-0

  日期：1996.11

  New macrocyclic oligomers of isophthalic acid and trans-1,2-diaminocyclohexane are readily prepared and useful in the synthesis of new, sequence-selective receptors for peptides. Such receptors have a simple, two-armed structural motif and the peptide sequences they bind vary with the ring size of the macrocyclic arms. Copyright (C) 1996 Elsevier Science Ltd