2,6-bis[((3-hydroxymethylphenyl)thio)methyl]-3-hydroxypyridine p-toluenesulfonate | 384344-24-5

• 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: 2,6-bis[((3-hydroxymethylphenyl)thio)methyl]-3-hydroxypyridine p-toluenesulfonate
• 英文别名: [2,6-Bis[[3-(hydroxymethyl)phenyl]sulfanylmethyl]pyridin-3-yl] 4-methylbenzenesulfonate；[2,6-bis[[3-(hydroxymethyl)phenyl]sulfanylmethyl]pyridin-3-yl] 4-methylbenzenesulfonate
• CAS: 384344-24-5
• 化学式: C₂₈H₂₇NO₅S₃
• 分子量: 553.724
• InChiKey: SMVBQLFSPVIFFD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  37
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  156
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  2,6-bis[((3-hydroxymethylphenyl)thio)methyl]-3-hydroxypyridine p-toluenesulfonate 在 甲基磺酰氯 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以68%的产率得到2,6-bis[((3-chloromethylphenyl)thio)methyl]-3-hydroxypyridine p-toluenesulfonate
  参考文献：
  名称：

  Unsymmetrical dendrimers with tridentate pyridylthioether coordination sites as repeating units: useful precursor for the synthesis of palladium-containing metallodendrimers

  摘要：

  Unsymmetrical pyridylthioether monomers derived from 2,6-bis(hydroxymethyl)-3-hydroxypyridine hydrochloride have been used to synthesize dendritic structures by a convergent route. The coupling of the monomers has been achieved by the Mitsunobu reaction. The presence of repeating SNS pincer units snakes these molecules precursors of metallodendrimers. The complexation of each binding site with palladium has been achieved upon reaction either with Pd-2(DBA)(3)CHCl3 in the presence of fumaronitrile or PdCl2(CH3CN)(2). (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)00871-7
• 作为产物：
  描述：

  3-羟基-2,6-双(羟甲基)吡啶 盐酸盐 在 potassium carbonate 、 甲基磺酰氯 、 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 48.5h， 生成 2,6-bis[((3-hydroxymethylphenyl)thio)methyl]-3-hydroxypyridine p-toluenesulfonate
  参考文献：
  名称：

  Unsymmetrical dendrimers with tridentate pyridylthioether coordination sites as repeating units: useful precursor for the synthesis of palladium-containing metallodendrimers

  摘要：

  Unsymmetrical pyridylthioether monomers derived from 2,6-bis(hydroxymethyl)-3-hydroxypyridine hydrochloride have been used to synthesize dendritic structures by a convergent route. The coupling of the monomers has been achieved by the Mitsunobu reaction. The presence of repeating SNS pincer units snakes these molecules precursors of metallodendrimers. The complexation of each binding site with palladium has been achieved upon reaction either with Pd-2(DBA)(3)CHCl3 in the presence of fumaronitrile or PdCl2(CH3CN)(2). (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)00871-7

文献信息

• Unsymmetrical dendrimers with tridentate pyridylthioether coordination sites as repeating units: useful precursor for the synthesis of palladium-containing metallodendrimers
  作者：Gavino Chessa、Luciano Canovese、Lucia Gemelli、Fabiano Visentin、Roberta Seraglia

  DOI：10.1016/s0040-4020(01)00871-7

  日期：2001.10

  Unsymmetrical pyridylthioether monomers derived from 2,6-bis(hydroxymethyl)-3-hydroxypyridine hydrochloride have been used to synthesize dendritic structures by a convergent route. The coupling of the monomers has been achieved by the Mitsunobu reaction. The presence of repeating SNS pincer units snakes these molecules precursors of metallodendrimers. The complexation of each binding site with palladium has been achieved upon reaction either with Pd-2(DBA)(3)CHCl3 in the presence of fumaronitrile or PdCl2(CH3CN)(2). (C) 2001 Elsevier Science Ltd. All rights reserved.