(S)-tebuconazole | 119364-85-1

• 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: (S)-tebuconazole
• 英文别名: (3S)-1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol
• CAS: 119364-85-1
• 化学式: C₁₆H₂₂ClN₃O
• 分子量: 307.82
• InChiKey: PXMNMQRDXWABCY-MRXNPFEDSA-N

物化性质

• 沸点：
  476.9±55.0 °C(Predicted)
• 密度：
  1.14±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  50.9
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  (3S)-1-(4-chlorophenyl)-4,4-dimethyl-3-(4,4,7-trimethyl-4a,5,6,7,8,8a-hexahydrobenzo[e][1,3]oxathiin-2-yl)pentan-3-ol 、 tebuconazole 生成 (S)-tebuconazole
  参考文献：
  名称：

  KAULEN, JOHANNES;ARIT, DIETER;HOLMWOOD, GRAHAM;KRAMER, WOLFGANG

  摘要：

  DOI：

文献信息

• Iminooxy-substituted benzyl phenyl ethers, processes and intermediates for their preparation, compositions comprising them, and their use for controlling harmful fungi
  申请人：——

  公开号：US20020082303A1

  公开（公告）日：2002-06-27

  Iminooxy-substituted benzyl phenyl ethers of the formula I 1 in which the substituents and the index are as defined below: Y is H, CH 3 , F or Cl; Q is C(═CHOCH 3 )—COOCH 3 , C(═CHCH 3 )—COOCH 3 , C(═NOCH 3 )—COOCH 3 , C(═NOCH 3 )—CONHCH 3 or N(—OCH 3 )—COOCH 3 ; X is hydrogen, halogen, alkyl, alkoxy or CF 3 ; m is 1 or 2, where the radicals X may be different if m=2; R 1 is alkyl and R 2 is hydrogen or alkyl; or R 1 and R 2 together are cyclopropyl, cyclopentyl or cyclohexyl; R 3 is alkyl or CF 3 ; and R 4 is alkyl, alkenyl, alkynyl, haloalkyl, haloalkenyl or haloalkynyl; processes and intermediates for their preparation, compositions comprising them, and their use, are described.

  I1式中的Iminooxy取代苯基苯醚，其中取代基和指数如下所定义：Y为H、CH3、F或Cl；Q为C(═CHO )—COO 、C(═CH )—COO 、C(═NO )—COO 、C(═NO )—CONH 或N(—O )—COO ；X为氢、卤素、烷基、烷氧基或CF3；m为1或2，当m=2时，基团X可以不同；R1为烷基，R2为氢或烷基；或者R1和R2一起为环丙基、环戊基或环己基；R3为烷基或 ；R4为烷基、烯基、炔基、卤代烷基、卤代烯基或卤代炔基；描述了它们的制备方法、中间体、包含它们的组合物以及它们的用途。
• Water dispersible starch based physical form modification of agricultural agents
  申请人：——

  公开号：US20030109384A1

  公开（公告）日：2003-06-12

  A stable, solid product of selected starches, active agricultural agents and optionally surfactants and or adjuvants which is readily dispersible in aqueous medium and compatible when dispersed.

  一种由选定的淀粉、活性农业剂和可选的表面活性剂或助剂组成的稳定、坚固的产品，可以在水介质中轻松分散，并且在分散时是兼容的。
• 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。
• Wood preservatives
  申请人：Ashmore William John

  公开号：US20060240263A1

  公开（公告）日：2006-10-26

  A method for preserving wood by contacting wood with a composition comprising an aqueous polymer dispersion, at least one surfactant, and a wood preservative.

  一种用含有水性聚合物分散液、至少一种表面活性剂和一种木材防腐剂的组合物来接触木材以保护木材的方法。
• Fungicides
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0243014A1

  公开（公告）日：1987-10-28

  Compounds of formula (1): and stereoisomers thereof, wherein W is R1O2-C=CH-ZR2, wherein R' and R2, which are the same or different, are alkyl or fluoroalkyl groups, and Z is either an oxygen or sulphur atom; A is an oxygen or sulphur atom,-NR3-, or-CR4R5-; X, Y and Z1, which are the same or different, are hydrogen or halogen atoms, or hydroxy, optionally substituted alkyl, optionally substituted cycloalkyl, optionally substituted cycloalkylalkyl, optionally substituted aralkyl, optionally substituted heteroarylalkyl, optionally substituted aryloxyalkyl, optionally substituted heteroaryloxyalkyl, optionally substituted alkenyl, optionally substituted alkynyl, optionally substituted aryl, optionally substituted heteroaryl, optionally substituted alkoxy, optionally substituted arylalkoxy, optionally substituted aryloxy, optionally substituted heteraryloxy. optionally substituted acyioxy, optionally substituted amino, optionally substituted acylamino, optionally substituted arylazo, nitro, cyano,-CO2R6,-CONR7R8,-COR9 -CR=NR10, -CR=NOR10 or -N=CR11R12 groups; or the groups X and Y, when they are in adjacent positions on the ring, optionally join to form a fused ring, either aromatic or aliphatic, optionally containing one or more heteroatoms; and R, R3, R4, R5, R6, R7, R8, R9, R10, R" and R", which are the same or different, are hydrogen atoms (provided that R4 and R5 are not hydrogen) or optionally substituted alkyl, optionally substituted cycloalkyl, optionally substituted cycloalkylalkyl, optionally substituted aralkyl, optionally substituted heterarylalkyl, optionally substituted aryloxyalkyl, optionally substituted heteroaryloxyalkyl, optionally substituted alkenyl, optionally substituted alkynyl, optionally substituted aryl or optionally substituted heteroaryl groups; and metal complexes thereof. The compounds are useful in agriculture, especially as fungicides but also as insecticides and plant growth regulators.

  式(1)化合物： 及其立体异构体，其中 W 是 R1O2-C=CH-ZR2，其中 R' 和 R2（相同或不同）是烷基或氟烷基，Z 是氧原子或硫原子；A 是氧原子或硫原子、-NR3- 或-CR4R5-；相同或不同的 X、Y 和 Z1 是氢原子或卤素原子，或羟基、任选取代的烷基、任选取代的环烷基、任选取代的环烷基烷基、任选取代的芳基、任选取代的杂芳基烷基、任选取代的芳氧基烷基、任选取代的杂芳氧基烷基、任选取代的烯基、任选取代的炔基、任选取代的芳基、任选取代的杂芳基、任选取代的烷氧基、任选取代的芳基烷氧基、任选取代的芳氧基、任选取代的杂芳基氧基。任选取代的酰氧基、任选取代的氨基、任选取代的酰氨基、任选取代的芳偶氮、硝基、氰基、-CO2R6、-CONR7R8、-CORR9 -CR=NR10、-CR=NOR10 或 -N=CR11R12 基团；或当基团 X 和 Y 位于环上的相邻位置时，可任选连接形成一个融合环，可为芳香族或脂肪族，可任选含有一个或多个杂原子；和 R、R3、R4、R5、R6、R7、R8、R9、R10、R "和 R"，它们相同或不同，是氢原子（条件是 R4 和 R5 不是氢原子）或任选取代的烷基、任选取代的环烷基、任选取代的环烷基烷基、任选取代的芳基、任选取代的杂芳基烷基、任选取代的芳氧基烷基、任选取代的杂芳氧基烷基、任选取代的烯基、任选取代的炔基、任选取代的芳基或任选取代的杂芳基；以及它们的金属络合物。 这些化合物可用于农业，特别是作为杀菌剂，也可作为杀虫剂和植物生长调节剂。