(Z)-7-chloro-2,3-dihydro-3-(4H-1,2,4-triazol-4-yl)-4H-1-benzopyran-4-one oxime | 402929-68-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: (Z)-7-chloro-2,3-dihydro-3-(4H-1,2,4-triazol-4-yl)-4H-1-benzopyran-4-one oxime
• 英文别名: (NZ)-N-[7-chloro-3-(1,2,4-triazol-4-yl)-2,3-dihydrochromen-4-ylidene]hydroxylamine
• CAS: 402929-68-4
• 化学式: C₁₁H₉ClN₄O₂
• 分子量: 264.671
• InChiKey: NJYAXHZDVAXJRR-PTNGSMBKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  72.5
• 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 、 (Z)-7-chloro-2,3-dihydro-3-(4H-1,2,4-triazol-4-yl)-4H-1-benzopyran-4-one oxime 在 potassium carbonate 、 硝酸 作用下， 以 N,N-二甲基甲酰胺 、 异丙醇 为溶剂， 以51%的产率得到(Z)-7-chloro-2,3-dihydro-3-(4H-1,2,4-triazol-4-yl)-4H-1-benzopyran-4-one O-(2,4-dichlorophenylmethyl)oxime nitrate
  参考文献：
  名称：

  Emami, Saeed; Shafiee, Abbas, Heterocycles, 2001, vol. 55, # 11, p. 2059 - 2074

  摘要：

  DOI：
• 作为产物：
  描述：

  1-(4-chloro-2-hydroxyphenyl)-2-(4H-1,2,4-triazol-4-yl)ethanone 在 盐酸羟胺 、 溶剂黄146 作用下， 以 甲醇 为溶剂， 反应 72.0h， 生成 (Z)-7-chloro-2,3-dihydro-3-(4H-1,2,4-triazol-4-yl)-4H-1-benzopyran-4-one oxime
  参考文献：
  名称：

  Emami, Saeed; Shafiee, Abbas, Heterocycles, 2001, vol. 55, # 11, p. 2059 - 2074

  摘要：

  DOI：

文献信息

• (E)- and (Z)-1,2,4-Triazolylchromanone oxime ethers as conformationally constrained antifungals
  作者：Saeed Emami、Mehraban Falahati、Ali Banifatemi、Massoud Amanlou、Abbas Shafiee

  DOI：10.1016/j.bmc.2004.06.010

  日期：2004.8.1

  A series of 132 4-triazolylchrornanone oxime ethers were synthesized and tested for in vitro antifungal activity. Many of these derivatives exhibit high activity against Candida albicans, Saccharomyces cerevisiae, Aspergillus niger and Microsporum gypseum (C) 2004 Elsevier Ltd. All rights reserved.
• Azolylchromans as a novel scaffold for anticonvulsant activity
  作者：Saeed Emami、Abbas Kebriaeezadeh、Mohammad Jafar Zamani、Abbas Shafiee

  DOI：10.1016/j.bmcl.2006.01.004

  日期：2006.4

  A series of azolylchroman derivatives were prepared as conformationally constrained analogs of (arylalkyl)azole anticonvulsants. The anticonvulsant activities of the compounds were evaluated by determining seizure latency and protective effect against pentylenetetrazole (PTZ)-induced lethal convulsions in mice at a dose of 5 mg/kg. Among these compounds, 7-chloro-3-(1H-imidazol-1-yl)chroman-4-one and 3-(1H-1.2,4-triazol-1-yl)chroman-4-one exhibited significant action in delaying seizures as well as effective protection against PTZ-induced seizures and deaths. (C) 2006 Elsevier Ltd. All rights reserved.
• Emami, Saeed; Shafiee, Abbas, Heterocycles, 2001, vol. 55, # 11, p. 2059 - 2074
  作者：Emami, Saeed、Shafiee, Abbas

  DOI：——

  日期：——