2-benzyl-2,3-dihydro-1,2-benzisothiazole | 88841-65-0

• 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: 2-benzyl-2,3-dihydro-1,2-benzisothiazole
• 英文别名: 2-Benzyl-2,3-dihydro-1,2-benzothiazole；2-benzyl-3H-1,2-benzothiazole
• CAS: 88841-65-0
• 化学式: C₁₄H₁₃NS
• 分子量: 227.33
• InChiKey: IEVLZWPFHCGRBV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  28.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  一氧化碳 、 2-benzyl-2,3-dihydro-1,2-benzisothiazole 在 四(三苯基膦)钯 吡啶 作用下， 80.0 ℃ 、2.07 MPa 条件下， 反应 24.0h， 以95%的产率得到3-benzyl-3,4-dihydro-2H-1,3-benzothiazin-2-one
  参考文献：
  名称：

  Synthesis of 3-Substituted-3,4-dihydro-2H-1,3-benzothiazin- 2-ones via a Highly Regioselective Palladium-Catalyzed Carbonylation of 2-Substituted-2,3-dihydro-1,2-benzisothiazoles

  摘要：

  [GRAPHICS]A novel synthesis of 3-substituted-3,4-dihydro-2H-1,3-benzothiazin-2-ones is described herein. The strategy relies on a highly regioselective palladium-catalyzed carbonylation of 2-substituted-2,3-dihydro-1,2-benzisothiazoles to give the corresponding 3,4-dihydro-2H-1,3-benzothiazin-2-one derivatives in good to excellent yields.

  DOI：

  10.1021/jo702146n
• 作为产物：
  描述：

  o-thiobenzoquinonemethide 以 甲苯 为溶剂， 生成 2-benzyl-2,3-dihydro-1,2-benzisothiazole
  参考文献：
  名称：

  Kanakarajan, Kuppusamy; Meier, Herbert, Angewandte Chemie, 1984, vol. 96, # 3, p. 220

  摘要：

  DOI：

文献信息

• Substituted isoselenazolone anti-infective, anti-inflammatory, anti-cancer, cytoprotective, neuroprotective, and anti-oxidant agents
  申请人：The University of Toledo

  公开号：US11053236B2

  公开（公告）日：2021-07-06

  Compounds, compositions, and methods for the treatment of infections, inflammation, cancers, tinnitus, Meniere's disease, hearing loss, or bipolar disorder, or for providing cytoprotection against Clostridium difficile toxins, are disclosed.

  本研究公开了用于治疗感染、炎症、癌症、耳鸣、美尼尔氏病、听力损失或躁狂症，或针对艰难梭菌毒素提供细胞保护的化合物、组合物和方法。
• KANAKARAIAN, KUPPUSAMY;MEIER, H., ANGEW. CHEM., 1984, 96, N 3, 220
  作者：KANAKARAIAN, KUPPUSAMY、MEIER, H.

  DOI：——

  日期：——
• SUBSTITUTED ISOSELENAZOLONE ANTI-INFECTIVE, ANTI-INFLAMMATORY, ANTI-CANCER, CYTOPROTECTIVE, NEUROPROTECTIVE, AND ANTI-OXIDANT AGENTS
  申请人：The University of Toledo

  公开号：US20190161482A1

  公开（公告）日：2019-05-30

  Compounds, compositions, and methods for the treatment of infections, inflammation, cancers, tinnitus, Meniere's disease, hearing loss, or bipolar disorder, or for providing cytoprotection against Clostridium difficile toxins, are disclosed.
• Kanakarajan, Kuppusamy; Meier, Herbert, Angewandte Chemie, 1984, vol. 96, # 3, p. 220
  作者：Kanakarajan, Kuppusamy、Meier, Herbert

  DOI：——

  日期：——
• Synthesis of 3-Substituted-3,4-dihydro-2<i>H</i>-1,3-benzothiazin- 2-ones via a Highly Regioselective Palladium-Catalyzed Carbonylation of 2-Substituted-2,3-dihydro-1,2-benzisothiazoles
  作者：Gwenaella Rescourio、Howard Alper

  DOI：10.1021/jo702146n

  日期：2008.2.1

  [GRAPHICS]A novel synthesis of 3-substituted-3,4-dihydro-2H-1,3-benzothiazin-2-ones is described herein. The strategy relies on a highly regioselective palladium-catalyzed carbonylation of 2-substituted-2,3-dihydro-1,2-benzisothiazoles to give the corresponding 3,4-dihydro-2H-1,3-benzothiazin-2-one derivatives in good to excellent yields.