1H-3-(4′-isothiazolyl)indole | 1446474-45-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 1H-3-(4′-isothiazolyl)indole
• 英文别名: 1H-3-(4'-isothiazolyl)indole；4-(1H-indol-3-yl)-1,2-thiazole
• CAS: 1446474-45-8
• 化学式: C₁₁H₈N₂S
• 分子量: 200.264
• InChiKey: IQJKSVMCXFVROD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  56.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  在 硫氰酸铵 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 以56%的产率得到1H-3-(4′-isothiazolyl)indole
  参考文献：
  名称：

  植物病原性真菌Camalexins，其生物等排体和类似物在植物病原性真菌Alternaria braciicicola中的代谢

  摘要：

  据报道，铜绿链霉菌对植物抗毒素camalexin（1），1-甲基camalexin（10）和6-甲氧基camalexin（11）的代谢及其抗真菌活性。这项工作建立了camalexins缓慢地生物转化（约六天）为相应的吲哚-3-硫代羧酰胺，然后将其进一步转化为吲哚-3-羧酸。这些代谢物对油菜曲霉的抑制作用远小于亲本卡莱姆毒素，表明这些酶介导的转化是解毒作用。此外，分析了卡莱姆毒素的合成异构体和生物异构体的代谢（1）表明噻唑环中的甘氨毒素的异构体没有被代谢。基于这些结果，提出了导致吲哚-3-硫代羧酰胺形成的潜在中间体。

  DOI：

  10.1016/j.bmc.2013.05.026

文献信息

• [EN] HETEROARYL COMPOUNDS AS AGROCHEMICAL FUNGICIDES<br/>[FR] COMPOSÉS HÉTÉROARYLE EN TANT QUE FONGICIDES AGROCHIMIQUES
  申请人：BASF SE

  公开号：WO2018210660A1

  公开（公告）日：2018-11-22

  The present invention relates to heteroaryl compounds of formula (I) or a compound in the form of a stereoisomer, an agriculturally acceptable salt, a tautomer, an isotopic form, a N-oxide, a S-oxide, a prodrug or mixture thereof. The present invention further relates to the use of a compound of formula (I). Furthermore, the present invention relates to methods for combating phytopathogenic harmful fungi, which methods comprising the steps of treatment of the phytopathogenic fungi, the plant or the plant propagation material selected from seeds, roots, fruits, tubers, bulbs, rhizomes, shoots, sprouts and other parts of plants, including seedlings and young plants to be protected against fungal attack, stored materials or harvest, or alternately the locus or soil or soil substituents or surfaces therefrom, with at least one compound of formula (I).
• [EN] HETEROARYL COMPOUNDS AS AGROCHEMICAL FUNGICIDES<br/>[FR] COMPOSÉS HÉTÉROARYLES EN TANT QUE FONGICIDES AGROCHIMIQUES
  申请人：BASF SE

  公开号：WO2018210658A1

  公开（公告）日：2018-11-22

  The present invention relates to heteroaryl compounds of formula (I) or a compound in the form of a stereoisomer, an agriculturally acceptable salt, a tautomer, an isotopic form, a N-oxide, a S-oxide, a prodrug or mixture thereof. The present invention further relates to the use of a compound of formula (I). Furthermore, the present invention relates to methods for combating phytopathogenic harmful fungi, which methods comprising the steps of treatment of the phytopathogenic fungi, the plant or the plant propagation material selected from seeds, roots, fruits, tubers, bulbs, rhizomes, shoots, sprouts and other parts of plants, including seedlings and young plants to be protected against fungal attack, stored materials or harvest, or alternately the locus or soil or soil substituents or surfaces therefrom, with at least one compound of formula (I).
• [EN] HETEROARYL COMPOUNDS AS AGROCHEMICAL FUNGICIDES<br/>[FR] COMPOSÉS HÉTÉROARYLE FAISANT OFFICE DE FONGICIDES AGROCHIMIQUES
  申请人：BASF SE

  公开号：WO2018210661A1

  公开（公告）日：2018-11-22

  The present invention relates to heteroaryl compounds of formula (I) or a compound in the form of a stereoisomer, an agriculturally acceptable salt, a tautomer, an isotopic form, a N-oxide, a S- oxide, a prodrug or mixture thereof. The present invention further relates to the use of a com- pound of formula (I). Furthermore, the present invention relates to methods for combating phy- topathogenic harmful fungi, which methods comprising the steps of treatment of the phytopatho- genic fungi, the plant or the plant propagation material selected from seeds, roots, fruits, tubers, bulbs, rhizomes, shoots, sprouts and other parts of plants, including seedlings and young plants to be protected against fungal attack, stored materials or harvest, or alternately the locus orsoil or soil substituents or surfaces therefrom, with at least one compound of formula (I).