cis-(+)-1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazole | 112721-87-6

• 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: cis-(+)-1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazole
• 英文别名: propiconazolecis-(+)-；1-[[(2R,4S)-2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
• CAS: 112721-87-6；116498-44-3
• 化学式: C₁₅H₁₇Cl₂N₃O₂
• 分子量: 342.225
• InChiKey: STJLVHWMYQXCPB-WFASDCNBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  49.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  硝酸 、 palladium (II) nitrate 、 (2RS,4RS)-2-(2,4-dichlorophenyl)-2-[1-1H-(1,2,4-triazole)methyl]-4-propyl-1,3-dioxolane 、 cis-(+)-1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazole 以 水 、 甲苯 为溶剂， 生成 [Pd2(NO3)4(1-([2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]-methyl)-1H-1,2,4-triazole)3]
  参考文献：
  名称：

  Palladium(II) extraction with 1-{[2-(2,4-Dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]-methyl}-1H-1,2,4-triazole from nitric acid solutions

  摘要：

  Palladium(II) extraction from nitric acid solutions with 1-{[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]-methyl}-1H-1,2,4-triazole in toluene is studied. The reagent efficiently extracts palladium(II) from 0.2-6 M HNO3 by a coordination mechanism yielding the complex Pd-2(NO3)(4) S (3) in the organic phase. The reagent can be used for selective separation of palladium(II) from nickel(II), copper(II), and iron(III) in the specified aqueous phase acidity range.

  DOI：

  10.1134/s0036023610120284
• 作为产物：
  描述：

  丙环唑 在 Chiralpak AD-3 作用下， 以 乙醇 为溶剂， 30.0 ℃ 、15.17 MPa 条件下， 生成 (2RS,4RS)-2-(2,4-dichlorophenyl)-2-[1-1H-(1,2,4-triazole)methyl]-4-propyl-1,3-dioxolane 、 (2RS,4RS)-2-(2,4-dichlorophenyl)-2-[1-1H-(1,2,4-triazole)methyl]-4-propyl-1,3-dioxolane 、 cis-(+)-1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazole 、 cis-(+)-1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazole
  参考文献：
  名称：

  Stereoselective Analysis and Dissipation of Propiconazole in Wheat, Grapes, and Soil by Supercritical Fluid Chromatography–Tandem Mass Spectrometry

  摘要：

  An efficient and sensitive chiral analytical method was established for the determination of propiconazole stereoisomers by supercritical fluid chromatography-tandem mass spectrometry (SFC-MS/MS). Stereoisomeric separation was performed on a Chiralpak AD-3 column with CO2/ethanol (93:7) as the mobile phase. The four propiconazole stereoisomers were well separated in 4.7 min with resolutions above 2.0. The specificity, linearity, matrix effects, accuracy, precision, and stability of the developed method were evaluated. The stereoselective dissipation of propiconazole in wheat straw, grape, and soil samples was investigated according to the proposed method. The results indicated that significant stereoselective degradation occurred in wheat straw and grapes, with preferential degradation of (-)-propiconazole A and (+)-propiconazole B in wheat straw and the opposite case in grapes. No enantioselectivity was observed in soil, although diastereoisomer A degraded more rapidly than diastereoisomer B. These results could contribute to a more accurate assessment of the environmental risk and food safety of propiconazole.

  DOI：

  10.1021/acs.jafc.6b04623

文献信息

• Fungicidal mixtures
  申请人：——

  公开号：US20040077700A1

  公开（公告）日：2004-04-22

  Fungicidal mixtures comprising a) a benzophenone of the formula I, b) a carbamate of the formula II, and c) an azole derivative of the formula III in a synergistically effective amount, and a method for controlling harmful fungi using mixtures of the compounds I, II and III are described. The active compounds of the formulae I, II and III are defined in the description.

  本文描述了杀真菌混合物，包括a）式I的苯甲酮，b）式II的氨基甲酸酯，以及c）式III的唑类衍生物，其具有协同有效量，并且使用化合物I，II和III的混合物来控制有害真菌的方法。公式I，II和III的活性化合物在描述中有定义。
• Mikrobizide Mittel
  申请人：CIBA-GEIGY AG

  公开号：EP0300413B1

  公开（公告）日：1993-09-01
• FUNGIZIDE MISCHUNGEN
  申请人：BASF AKTIENGESELLSCHAFT

  公开号：EP1353554B1

  公开（公告）日：2004-06-30
• US4940799A
  申请人：——

  公开号：US4940799A

  公开（公告）日：1990-07-10
• US5288747A
  申请人：——

  公开号：US5288747A

  公开（公告）日：1994-02-22