2,5,6-trichlorobenzoxazole | 177268-36-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 英文名称: 2,5,6-trichlorobenzoxazole
• 英文别名: 2,5,6-Trichlorobenzo[d]oxazole；2,5,6-trichloro-1,3-benzoxazole
• CAS: 177268-36-9
• 化学式: C₇H₂Cl₃NO
• 分子量: 222.458
• InChiKey: GJLGHNBLGXOPGL-UHFFFAOYSA-N

物化性质

• 沸点：
  282.3±20.0 °C(Predicted)
• 密度：
  1.642±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  26
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  2,5,6-trichlorobenzoxazole 在 silver tetrafluoroborate 、 三乙胺 作用下， 以 氘代乙腈 、 乙腈 为溶剂， 反应 0.5h， 生成 6,7-Dichloro-2H-9-oxa-1,4a-diaza-fluorene
  参考文献：
  名称：

  Facile Rearrangements of Alkynylamino Heterocycles with Noble Metal Cations

  摘要：

  A number of 2-(alkynylamino)-substituted heterocycles have been synthesized. These heterocycles rearrange in the presence of silver(I) and gold(I) salts to give novel 2H-pyrimido[2,1-b]benzoxazoles, 2H-pyrimido[2,1-b]benzothiazoles, and a 2H-pyrimido[2,1-b]benzoselenazole. Two of the the 2H-pyrimido[2,1-b]benzoxazoles were isolated in good yield. The kinetics of the silver tetrafluoroborate-catalyzed rearrangements of selected (alkynylamino)benzoxazoles and benzothiazoles have been examined by H-1 NMR in CD3CN. Factors affecting the electron densities of the triple bond and of the nitrogen atom in the heterocycle are important in influencing the rate of rearrangement.

  DOI：

  10.1021/jo952101z
• 作为产物：
  描述：

  5,6-二氯-2(3H)-苯并恶唑硫酮 在 氯化亚砜 、 N,N-二甲基甲酰胺 作用下， 反应 0.5h， 以98%的产率得到2,5,6-trichlorobenzoxazole
  参考文献：
  名称：

  Facile Rearrangements of Alkynylamino Heterocycles with Noble Metal Cations

  摘要：

  A number of 2-(alkynylamino)-substituted heterocycles have been synthesized. These heterocycles rearrange in the presence of silver(I) and gold(I) salts to give novel 2H-pyrimido[2,1-b]benzoxazoles, 2H-pyrimido[2,1-b]benzothiazoles, and a 2H-pyrimido[2,1-b]benzoselenazole. Two of the the 2H-pyrimido[2,1-b]benzoxazoles were isolated in good yield. The kinetics of the silver tetrafluoroborate-catalyzed rearrangements of selected (alkynylamino)benzoxazoles and benzothiazoles have been examined by H-1 NMR in CD3CN. Factors affecting the electron densities of the triple bond and of the nitrogen atom in the heterocycle are important in influencing the rate of rearrangement.

  DOI：

  10.1021/jo952101z

文献信息

• [EN] ANTIBIOTIC COMPOUNDS<br/>[FR] COMPOSÉS ANTIBIOTIQUES
  申请人：DISCUVA LTD

  公开号：WO2018037223A1

  公开（公告）日：2018-03-01

  The present invention relates to antibiotic compounds of formula (I), to compositions containing these compounds and to methods of treating bacterial diseases and infections using the compounds. The compounds find application in the treatment of infection with, and diseases caused by, Gram-positive and/or Gram-negative bacteria, and in particular in the treatment of infection with, and diseases caused by, Neisseria gonorrhoeae.

  本发明涉及公式（I）的抗生素化合物，含有这些化合物的组合物，以及使用这些化合物治疗细菌性疾病和感染的方法。这些化合物在治疗革兰氏阳性和/或革兰氏阴性细菌引起的感染和疾病方面具有应用，特别是在治疗由淋病奈瑟菌引起的感染和疾病方面。
• [EN] NOVEL HETEROARYL-SUBSTITUTED AMINOALKYL AZOLE COMPOUNDS AS PESTICIDES<br/>[FR] NOUVEAUX COMPOSÉS D'AMINOALKYLAZOLE À SUBSTITUTION HÉTÉROARYLE UTILISÉS EN TANT QUE PESTICIDES
  申请人：BAYER ANIMAL HEALTH GMBH

  公开号：WO2020212235A1

  公开（公告）日：2020-10-22

  The present invention relates to novel heteroaryl-substituted aminoalkyl azole compounds of the general formula (I), in which the structural elements Y, Q1, Q2, R1, R2, R3 and R4 have the meaning given in the description, to formulations and compositions comprising such compounds and for their use in the control of animal pests including arthropods and insects in plant protection and to their use for control of ectoparasites on animals. Formula (I).

  本发明涉及一种新颖的杂环取代氨基烷基唑类化合物，其通式为(I)，其中结构元素Y、Q1、Q2、R1、R2、R3和R4的含义如描述中所述，以及包含这种化合物的配方和组合物，用于控制包括节肢动物和昆虫在内的动物害虫，用于植物保护，并用于控制动物体表寄生虫。通式(I)。
• ANTIBIOTIC COMPOUNDS
  申请人：DISCUVA LTD.

  公开号：US20190194179A1

  公开（公告）日：2019-06-27

  The present invention relates to antibiotic compounds of formula (I), to compositions containing these compounds and to methods of treating bacterial diseases and infections using the compounds. The compounds find application in the treatment of infection with, and diseases caused by, Gram-positive and/or Gram-negative bacteria, and in particular in the treatment of infection with, and diseases caused by, Neisseria gonorrhoeae .
• Facile Rearrangements of Alkynylamino Heterocycles with Noble Metal Cations
  作者：Roger Lok、Ronald E. Leone、Antony J. Williams

  DOI：10.1021/jo952101z

  日期：1996.1.1

  A number of 2-(alkynylamino)-substituted heterocycles have been synthesized. These heterocycles rearrange in the presence of silver(I) and gold(I) salts to give novel 2H-pyrimido[2,1-b]benzoxazoles, 2H-pyrimido[2,1-b]benzothiazoles, and a 2H-pyrimido[2,1-b]benzoselenazole. Two of the the 2H-pyrimido[2,1-b]benzoxazoles were isolated in good yield. The kinetics of the silver tetrafluoroborate-catalyzed rearrangements of selected (alkynylamino)benzoxazoles and benzothiazoles have been examined by H-1 NMR in CD3CN. Factors affecting the electron densities of the triple bond and of the nitrogen atom in the heterocycle are important in influencing the rate of rearrangement.