7-(1-Hydroxy-2-[1,2,4]triazol-1-yl-ethyl)-4-methyl-4H-benzo[1,4]thiazin-3-one | 204718-16-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻嗪类
• 英文名称: 7-(1-Hydroxy-2-[1,2,4]triazol-1-yl-ethyl)-4-methyl-4H-benzo[1,4]thiazin-3-one
• 英文别名: 7-[1-Hydroxy-2-(1,2,4-triazol-1-yl)ethyl]-4-methyl-1,4-benzothiazin-3-one
• CAS: 204718-16-1
• 化学式: C₁₃H₁₄N₄O₂S
• 分子量: 290.346
• InChiKey: GQUUKBUKSMHJMT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  96.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2,4-二氯氯苄 、 7-(1-Hydroxy-2-[1,2,4]triazol-1-yl-ethyl)-4-methyl-4H-benzo[1,4]thiazin-3-one 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 以42%的产率得到7-[1-(2,4-Dichloro-benzyloxy)-2-[1,2,4]triazol-1-yl-ethyl]-4-methyl-4H-benzo[1,4]thiazin-3-one
  参考文献：
  名称：

  Azole derivatives of 1,4-benzothiazine as antifungal agents

  摘要：

  A series of azole derivatives of 1,4-benzothiazine 7-14 was synthesized and evaluated for the in vitro and in vivo activity against Candida albicans. Secondary alcohol 10 and its ether derivative 13 showed very good efficacy against systemic candidiasis in a murine experimental model. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(97)10016-5
• 作为产物：
  描述：

  7-(2-bromoacetyl)-4-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-one 在 盐酸 、 sodium tetrahydroborate 、 sodium nitrite 作用下， 以 甲醇 、 水 、 异丙醇 为溶剂， 反应 4.0h， 生成 7-(1-Hydroxy-2-[1,2,4]triazol-1-yl-ethyl)-4-methyl-4H-benzo[1,4]thiazin-3-one
  参考文献：
  名称：

  Azole derivatives of 1,4-benzothiazine as antifungal agents

  摘要：

  A series of azole derivatives of 1,4-benzothiazine 7-14 was synthesized and evaluated for the in vitro and in vivo activity against Candida albicans. Secondary alcohol 10 and its ether derivative 13 showed very good efficacy against systemic candidiasis in a murine experimental model. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(97)10016-5

文献信息

• Azole derivatives of 1,4-benzothiazine as antifungal agents
  作者：Renata Fringuelli、Fausto Schiaffella、Francesco Bistoni、Lucia Pitzurra、Anna Vecchiarelli

  DOI：10.1016/s0968-0896(97)10016-5

  日期：1998.1

  A series of azole derivatives of 1,4-benzothiazine 7-14 was synthesized and evaluated for the in vitro and in vivo activity against Candida albicans. Secondary alcohol 10 and its ether derivative 13 showed very good efficacy against systemic candidiasis in a murine experimental model. (C) 1998 Elsevier Science Ltd. All rights reserved.