3,5,7-Trimethyl-1,2-benzothiazole 1,1-dioxide | 1585245-39-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 3,5,7-Trimethyl-1,2-benzothiazole 1,1-dioxide
• CAS: 1585245-39-1
• 化学式: C₁₀H₁₁NO₂S
• 分子量: 209.269
• InChiKey: LHOSKTYWNBNZBG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  54.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3,5,7-Trimethyl-1,2-benzothiazole 1,1-dioxide 、 苯甲醛 在 哌啶 、 silver tetrafluoroborate 、 dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer 、 溶剂黄146 作用下， 以 乙醇 、 1,2-二氯乙烷 为溶剂， 反应 2.5h， 生成 6-(3,5-dimethylphenyl)-2,3,4-triphenylpyridine
  参考文献：
  名称：

  Highly Functionalized Pyridines Synthesis from N-Sulfonyl Ketimines and Alkynes Using the N–S Bond as an Internal Oxidant

  摘要：

  The N-S bond-based internal oxidant offers a distinct approach for the synthesis of highly functionalized pyridines. A novel Rh(III)-catalyzed one-pot process undergoes an efficient C-C/C-N bond formation along with desulfonylation under very mild conditions. The method is quite simple, general, and efficient.

  DOI：

  10.1021/ol500345n
• 作为产物：
  描述：

  5,7-dimethyl-1,1-dioxo-1,2-dihydro-1λ⁶-benzo[d]isothiazol-3-one 、 甲基氯化镁 以 四氢呋喃 为溶剂， 生成 3,5,7-Trimethyl-1,2-benzothiazole 1,1-dioxide
  参考文献：
  名称：

  Highly Functionalized Pyridines Synthesis from N-Sulfonyl Ketimines and Alkynes Using the N–S Bond as an Internal Oxidant

  摘要：

  The N-S bond-based internal oxidant offers a distinct approach for the synthesis of highly functionalized pyridines. A novel Rh(III)-catalyzed one-pot process undergoes an efficient C-C/C-N bond formation along with desulfonylation under very mild conditions. The method is quite simple, general, and efficient.

  DOI：

  10.1021/ol500345n

文献信息

• [EN] USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC<br/>[FR] UTILISATION D'INHIBITEURS DE LA CATHEPSINE S POUR LE TRAITEMENT D'UNE REPONSE IMMUNE CAUSEE PAR ADMINISTRATION D'UNE PETITE MOLECULE THERAPEUTIQUE OU BIOLOGIQUE
  申请人：AXYS PHARM INC

  公开号：WO2005058348A1

  公开（公告）日：2005-06-30

  The present invention is directed to the use of Cathepsin S inhibitors in combination with a therapy that causes a deleterious immune response in patients receiving the therapy.
• Highly Functionalized Pyridines Synthesis from <i>N</i>-Sulfonyl Ketimines and Alkynes Using the N–S Bond as an Internal Oxidant
  作者：Qian-Ru Zhang、Ji-Rong Huang、Wei Zhang、Lin Dong

  DOI：10.1021/ol500345n

  日期：2014.3.21

  The N-S bond-based internal oxidant offers a distinct approach for the synthesis of highly functionalized pyridines. A novel Rh(III)-catalyzed one-pot process undergoes an efficient C-C/C-N bond formation along with desulfonylation under very mild conditions. The method is quite simple, general, and efficient.