2,5-Dimethoxybenzoyl isothiocyanate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,5-Dimethoxybenzoyl isothiocyanate
• 化学式: C₁₀H₉NO₃S
• 分子量: 223.252
• InChiKey: CJRXQGBOCFAYEV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  80
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-(3-aminopropyl)benzo[d][1,2,3]triazin-4(3H)-one 、 2,5-Dimethoxybenzoyl isothiocyanate 以 二氯甲烷 为溶剂， 以84%的产率得到2,5-dimethoxy-N-((3-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)propyl)carbamothioyl)benzamide
  参考文献：
  名称：

  Synthesis and nematicidal activities of 1,2,3-benzotriazin-4-one derivatives containing thiourea and acylthiourea against Meloidogyne incognita

  摘要：

  Two series of novel 1,2,3-benzotriazin-4-one derivatives containing thiourea and acylthiourea were designed and synthesized. The bioassay results showed that most of the test compounds showed good nematicidal activity against M. incognita at the concentration of 10.0 mg L-1 in vivo. The compounds A13, A17 and B3 showed excellent nematicidal activity on the second stage juveniles of the root-knot nematode with the inhibition rate of 51.3%, 58.3% and 51.3% at the concentration of 1.0 mg L-1 respectively. It suggested that the structure of 1,2,3-benzotriazin-4-one derivatives containing thiourea and acylthiourea could be optimized further. (C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2016.12.065
• 作为产物：
  描述：

  2,5-二甲氧基苯甲酸 在 氯化亚砜 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 2,5-Dimethoxybenzoyl isothiocyanate
  参考文献：
  名称：

  Synthesis and nematicidal activities of 1,2,3-benzotriazin-4-one derivatives containing thiourea and acylthiourea against Meloidogyne incognita

  摘要：

  Two series of novel 1,2,3-benzotriazin-4-one derivatives containing thiourea and acylthiourea were designed and synthesized. The bioassay results showed that most of the test compounds showed good nematicidal activity against M. incognita at the concentration of 10.0 mg L-1 in vivo. The compounds A13, A17 and B3 showed excellent nematicidal activity on the second stage juveniles of the root-knot nematode with the inhibition rate of 51.3%, 58.3% and 51.3% at the concentration of 1.0 mg L-1 respectively. It suggested that the structure of 1,2,3-benzotriazin-4-one derivatives containing thiourea and acylthiourea could be optimized further. (C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2016.12.065

文献信息

• 2-Acylimino-3-alkyl-3H-thiazoline derivatives: one-pot, three-component condensation synthesis of novel β-turn mimics
  作者：Akira Manaka、Takaaki Ishii、Keiko Takahashi、Masakazu Sato

  DOI：10.1016/j.tetlet.2004.11.105

  日期：2005.1

  One-pot, three-component condensation of aroylthiourea, primary amine and alpha-halocarbonyl derivatives for the synthesis of 2-acylimino-3-alkyl-3H-thiazoline derivatives is described. This method is useful for simultaneousiv incorporating diverse functional groups at four positions in the 3H-thiazoline skeleton to obtain beta-turn tripeptide mimics. (C) 2004 Elsevier Ltd. All rights reserved.