N-propionyl-1,2-benzisoselenazol-3(2H)-one

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: N-propionyl-1,2-benzisoselenazol-3(2H)-one
• 英文别名: N-Propiolyl-1,2-benzisoselenazol-3(2H)-one；2-propanoyl-1,2-benzoselenazol-3-one
• 化学式: C₁₀H₉NO₂Se
• 分子量: 254.147
• InChiKey: KVVINJIKWAZYBX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.11
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  37.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-chloroselenobenzoyl chloride 在 丙酸 作用下， 以 苯 为溶剂， 生成 N-propionyl-1,2-benzisoselenazol-3(2H)-one
  参考文献：
  名称：

  N-Propionyl-1,2-benzisoselenazol-3(2H)-one

  摘要：

  The title compound, C10H9NO2Se, crystallizes as flat molecules linked by selenium-oxygen interactions [Se . . .O = 3.189 (4) Angstrom] into a linear chain along the a axis of the triclinic cell. The bond dimensions that are derived from ab initio geometry optimization calculations are similar to those determined from the diffraction measurements.

  DOI：

  10.1107/s0108270100011276

文献信息

• Synthesis of 2-Acyl- and 2-Sulfonylbenzisoselenazol-3(2H)-ones
  作者：Sungano Mhizha、Jacek Młochowski

  DOI：10.1080/00397919708005029

  日期：1997.1

  Synthesis of two new groups of organoselenium compounds: 2-acyl-and sulfonylbenzisoselenazol-3(2H)-ones (3,4), potential immunostimulants, in two alternative ways was elaborated. One of them was based on the reaction of 2-chlorobenzoyl chloride(2) with primary amides while the second one involved N-acylation or N-sulfonylation of benzisoselenazol-3(2H)-one (5) with acid chlorides. Two exceptions from general reaction of dichloride 2 with amides were observed. Thioacetamide produced 2,1-benzothiaselenophenone (6), and urea gave 6,7-benzo-2,4-diaza-1-selenacyclohepta-3,5-dione (7).
• <i>N</i>-Propionyl-1,2-benzisoselenazol-3(2<i>H</i>)-one
  作者：Yun Shan Peng、Han Sheng Xu、Pance Naumov、S. Shanmuga Sundara Raj、Hoong-Kun Fun、Ibrahim Abdul Razak、Seik Weng Ng

  DOI：10.1107/s0108270100011276

  日期：2000.11.15

  The title compound, C10H9NO2Se, crystallizes as flat molecules linked by selenium-oxygen interactions [Se . . .O = 3.189 (4) Angstrom] into a linear chain along the a axis of the triclinic cell. The bond dimensions that are derived from ab initio geometry optimization calculations are similar to those determined from the diffraction measurements.