rac-1-[(2S,4R)-2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl-methyl]-1H-1,2,4-triazole | 1161016-84-7

• 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: rac-1-[(2S,4R)-2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl-methyl]-1H-1,2,4-triazole
• 英文别名: rac-cis-difenoconazole；(2S,4R)-Difenoconazole；1-[[(2S,4R)-2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
• CAS: 1161016-84-7
• 化学式: C₁₉H₁₇Cl₂N₃O₃
• 分子量: 406.268
• InChiKey: BQYJATMQXGBDHF-BFUOFWGJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  58.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  rac-1-[(2S,4R)-2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl-methyl]-1H-1,2,4-triazole 、 富马酸 以 乙醇 为溶剂， 反应 1.0h， 生成 rac-1-[(2S,4R)-2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl-methyl]-1H-1,2,4-triazole fumarate
  参考文献：
  名称：

  [EN] CO-CRYSTALS OF DIFENOCONAZOLE
  [FR] CO-CRISTAUX DE DIFÉNOCONAZOLE

  摘要：

  The present invention relates to novel co-crystals of difenoconzaole and fumaric acid and their use in fungicidal compositions, in particular agrochemical compositions.

  公开号：

  WO2020074364A1

文献信息

• [EN] DIFENOCONAZOLE STEREOISOMERIC COMPOSITION WITH REDUCED PHYTOTOXICITY<br/>[FR] COMPOSITION DE STÉRÉOISOMÈRE DU DIFÉNOCONAZOLE PRÉSENTANT UNE PHYTOTOXICITÉ RÉDUITE
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2014118127A1

  公开（公告）日：2014-08-07

  The present invention relates to a composition and its use in a method for safening the phytotoxic effect of difenoconazole on a plant or plant propagation material. More specifically the composition comprises difenoconazole characterised in that least 40% by weight of said difenoconazole is the 2R, 4S isomer depicted as formula (Ib): and wherein at least 95% by weight of the remaining difenoconazole is the 2S, 4S isomer depicted as formula (Id):

  本发明涉及一种组合物及其在一种方法中的使用，用于减轻二氮唑酮对植物或植物繁殖材料的毒害作用。具体地说，该组合物包括二氮唑酮，其特征在于至少40%的二氮唑酮按重量是2R, 4S异构体，表示为式(Ib)：而剩余的二氮唑酮至少95%按重量是2S, 4S异构体，表示为式(Id)。
• DIFENOCONAZOLE STEREOISOMERIC COMPOSITION WITH REDUCED PHYTOTOXICITY
  申请人：Syngenta Participations AG

  公开号：EP2950653B1

  公开（公告）日：2019-01-16
• DIFENOCONAZOLE STEREPOSPMERIC COMPOSITION WITH REDUCED PHYTOTOXICITY
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：US20150366203A1

  公开（公告）日：2015-12-24

  The present invention relates to a composition and its use in a method for safening the phytotoxic effect of difenoconazole on a plant or plant propagation material. More specifically the composition comprises difenoconazole characterised in that least 40% by weight of said difenoconazole is the 2R, 4S isomer depicted as formula (Ib): and wherein at least 95% by weight of the remaining difenoconazole is the 2S, 4S isomer depicted as formula (Id):
• US9462807B2
  申请人：——

  公开号：US9462807B2

  公开（公告）日：2016-10-11
• [EN] CO-CRYSTALS OF DIFENOCONAZOLE<br/>[FR] CO-CRISTAUX DE DIFÉNOCONAZOLE
  申请人：SYNGENTA CROP PROTECTION AG

  公开号：WO2020074364A1

  公开（公告）日：2020-04-16

  The present invention relates to novel co-crystals of difenoconzaole and fumaric acid and their use in fungicidal compositions, in particular agrochemical compositions.