1-(3-methyl-[2]thienyl)-ethanone oxime

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: 1-(3-methyl-[2]thienyl)-ethanone oxime
• 英文别名: 1-(3-Methyl-[2]thienyl)-aethanon-oxim；(NE)-N-[1-(3-methylthiophen-2-yl)ethylidene]hydroxylamine
• 化学式: C₇H₉NOS
• 分子量: 155.221
• InChiKey: CEOMWJPHMXLIGU-SOFGYWHQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  60.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(3-methyl-[2]thienyl)-ethanone oxime 在 盐酸 、 吡啶硼烷 作用下， 以 四氢呋喃 、 1,4-二氧六环 为溶剂， 反应 2.17h， 生成 N-hydroxy-N-1-(3-methylthien-2-yl)ethyl urea
  参考文献：
  名称：

  Structure−Activity Relationships of N-Hydroxyurea 5-Lipoxygenase Inhibitors

  摘要：

  The discovery of second generation N-hydroxyurea 5-lipoxygenase inhibitors was accomplished through the development of a broad structure-activity relationship (SAR) study. This study identified requirements for improving potency and also extending duration by limiting metabolism. Potency could be maintained by the incorporation of heterocyclic templates substituted with selected lipophilic substituents. Duration of inhibition after oral administration was optimized by identification of structural features in the proximity of the N-hydroxyurea which correlated to low in vitro glucuronidation rates. Furthermore, the rate of in vitro glucuronidation was shown to be stereoselective for certain analogs. (R)-N-[3-[5-(4-Fluorophenoxy)-2-furyl]-1-methyl-2-propynyl]-N-hy- droxyurea (17c) was identified and selected for clinical development.

  DOI：

  10.1021/jm9700474
• 作为产物：
  描述：

  3-甲基噻吩 在 磷酸 、 羟胺 作用下， 生成 1-(3-methyl-[2]thienyl)-ethanone oxime
  参考文献：
  名称：

  Acylation Studies in the Thiophene and Furan Series. IV. Strong Inorganic Oxyacids as Catalysts

  摘要：

  DOI：

  10.1021/ja01204a049

文献信息

• TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20150299146A1

  公开（公告）日：2015-10-22

  The compound represented by formula (1): wherein R 4 and R 5 each represents a hydrogen atom, a halogen atom, or a C1-C3 alkyl group; R 6 represents a C1-C4 alkyl group, a C3-C6 cycloalkyl group, or the like; R 7 , R 8 , and R 9 each represents a hydrogen atom, a halogen atom, or the like; R 10 represents a C1-C3 alkyl group, or the like; R 13 represents a C1-C3 alkyl group, or the like; and Q represents a phenyl group, or the like; has an excellent control effect on pests.

  式(1)所代表的化合物：其中，R4和R5分别表示氢原子、卤素原子或C1-C3烷基；R6表示C1-C4烷基、C3-C6环烷基或类似物；R7、R8和R9分别表示氢原子、卤素原子或类似物；R10表示C1-C3烷基或类似物；R13表示C1-C3烷基或类似物；Q表示苯基或类似物。该化合物对害虫有极好的控制效果。
• TETRAZOLINONE COMPOUND AND USE THEREOF
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP2927218B1

  公开（公告）日：2018-07-04
• Gerlach, Justus Liebigs Annalen der Chemie, 1892, vol. 267, p. 161
  作者：Gerlach

  DOI：——

  日期：——
• US9725423B2
  申请人：——

  公开号：US9725423B2

  公开（公告）日：2017-08-08