2-benzenesulfonyl-pyridine N-oxide | 39574-20-4

• 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-benzenesulfonyl-pyridine N-oxide
• 英文别名: 2-Benzolsulfonylpyridin-1-oxid；2-(Benzenesulfonyl)-1-oxidopyridin-1-ium
• CAS: 39574-20-4
• 化学式: C₁₁H₉NO₃S
• 分子量: 235.263
• InChiKey: ZJPWFFCWYOHGLZ-UHFFFAOYSA-N

物化性质

• 沸点：
  523.0±23.0 °C(Predicted)
• 密度：
  1.29±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  68
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  2-benzenesulfonyl-pyridine N-oxide 以 乙醇 为溶剂， 反应 0.25h， 生成 苯亚硫酸甲酯
  参考文献：
  名称：

  A Convenient Preparation of Sulfinic Acids by the Reaction of 2-Sulfonylpyridines and Their N-Oxides with Nucleophiles

  摘要：

  DOI：

  10.3987/r-1986-11-3019
• 作为产物：
  描述：

  2-Phenylmercapto-pyridin-(1)-oxid 在 sodium hypochlorite 、 溶剂黄146 作用下， 反应 2.0h， 生成 2-benzenesulfonyl-pyridine N-oxide
  参考文献：
  名称：

  Green Chemical Synthesis of 2-Benzenesulfonyl-pyridine and Related Derivatives

  摘要：

  A practical synthesis of 2-benzenesulfonylpyridine, 1, is described which is a key starting material for the manufacture of an investigational new drug candidate at Eli Lilly and Company. An optimized green chemical process was developed which features a novel tandem SNAr/oxidation under mild conditions to produce the target sulfone, 1, in 86% yield and >99% purity. In addition, this novel, environmentally friendly methodology was found to be general for the synthesis of substituted aromatic pyridyl sulfides and sulfones.

  DOI：

  10.1021/op700060e

文献信息

• FURUKAWA NAOMICHI; TSURUOKA MASAYUKI; FIJIBARA HISASHI, HETEROCYCLES, 24,(1986) N 11, 3019-3022
  作者：FURUKAWA NAOMICHI、 TSURUOKA MASAYUKI、 FIJIBARA HISASHI

  DOI：——

  日期：——
• ——
  作者：FURUKAVA NAOMITI、 FUDZIXARA XISASI、 TSURUOKA MASAYUKI、 KAVAI TSUTOMU

  DOI：——

  日期：——
• Green Chemical Synthesis of 2-Benzenesulfonyl-pyridine and Related Derivatives
  作者：William G. Trankle、Michael E. Kopach

  DOI：10.1021/op700060e

  日期：2007.9.1

  A practical synthesis of 2-benzenesulfonylpyridine, 1, is described which is a key starting material for the manufacture of an investigational new drug candidate at Eli Lilly and Company. An optimized green chemical process was developed which features a novel tandem SNAr/oxidation under mild conditions to produce the target sulfone, 1, in 86% yield and >99% purity. In addition, this novel, environmentally friendly methodology was found to be general for the synthesis of substituted aromatic pyridyl sulfides and sulfones.
• A Convenient Preparation of Sulfinic Acids by the Reaction of 2-Sulfonylpyridines and Their N-Oxides with Nucleophiles
  作者：Naomichi Furukawa、Masayuki Tsuruoka、Hisashi Fujihara

  DOI：10.3987/r-1986-11-3019

  日期：——