alpha-叔-丁基-Alpha-[(4-氯苯氧基)甲基]-1H-1,2,4-三唑-1-乙醇 | 80456-55-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: alpha-叔-丁基-Alpha-[(4-氯苯氧基)甲基]-1H-1,2,4-三唑-1-乙醇
• 中文别名: 维布纳唑
• 英文名称: vibunazole
• 英文别名: 2-(4-chlorophenoxy)-methyl-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-butan-2-ol；1 (4 chlorophenoxy) 3,3 dimethyl 2 (1,2,4 triazol 1 yl)methyl 2 butanol；2-(4-chlorophenoxymethyl)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-2-butanol；α-tert-butyl-α-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-1-ethanol；1-(4-chlorophenoxy)-3,3-dimethyl-2-(1,2,4-triazol-1-yl-methyl)-butan-2-ol；1-(4-chlorophenoxy)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butan-2-ol
• CAS: 80456-55-9
• 化学式: C₁₅H₂₀ClN₃O₂
• 分子量: 309.796
• InChiKey: OCQPZTCGZAFWSG-UHFFFAOYSA-N

物化性质

• 沸点：
  486.3±55.0 °C(Predicted)
• 密度：
  1.19±0.1 g/cm3(Predicted)
• 溶解度：
  溶于二甲基亚砜

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  60.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1H-1,2,4-三唑 、 2-(tert-butyl)-2-((4-chlorophenoxy)methyl)oxirane 在 ice 、 乙酸乙酯 、 hexane-diethyl ether 、 乙醚 作用下， 以 乙醇 为溶剂， 反应 48.0h， 以60.2 g (65% of theory) of 2-(4-chlorophenoxymethyl)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-2-butanol of melting point 84° to 87° C. are obtained的产率得到alpha-叔-丁基-Alpha-[(4-氯苯氧基)甲基]-1H-1,2,4-三唑-1-乙醇
  参考文献：
  名称：

  Triazole derivative as an antiviral agent

  摘要：

  该发明涉及2-(4-氯苯氧甲基)-3,3-二甲基-1-(1,2,4-三唑-1-基)-2-丁醇及其用于治疗疱疹病毒感染的用途。

  公开号：

  US04564622A1

文献信息

• Phenyl(oxy/thio)alkanol Derivatives
  申请人：Nising Carl Friedrich

  公开号：US20110039865A1

  公开（公告）日：2011-02-17

  The present invention relates to novel phenyl(oxy/thio)alkanol derivatives, to processes for preparing these compounds, to compositions comprising these compounds and to their use as biologically active compounds, in particular for controlling harmful microorganisms in crop protection and in the protection of materials and as plant growth regulators.

  本发明涉及新型苯基（氧/硫）脂肪醇衍生物，制备这些化合物的方法，包含这些化合物的组合物以及它们作为生物活性化合物的用途，特别是用于控制农作物保护中的有害微生物和材料保护以及作为植物生长调节剂。
• Process for the preparation of oxiranes
  申请人：Bayer Aktiengesellschaft

  公开号：US04886892A1

  公开（公告）日：1989-12-12

  A process for the preparation of oxiranes is disclosed in which a ketone of the formula ##STR1## wherein Y represents chlorine or phenyl, X represents oxygen or CH.sub.2 and Z represents hydrogen or halogen is reacted with trimethylsulphonium methyl sulphate formed by treating dimethyl sulphide with dimethyl sulphate. The process is carried out in the presence of potassium hydroxide or sodium hydroxide powder in an inert organic diluent at 0.degree. to 60.degree. C. The products are useful as intermediates for the formation of plant growth regulants and fungicides.

  本发明揭示了一种制备环氧乙烷的方法，其中化合物的酮式结构为##STR1## 其中Y代表氯或苯基，X代表氧或CH.sub.2，Z代表氢或卤素，与用二甲基亚磺酸甲酯处理得到的三甲基磺酸甲酯反应。该方法在惰性有机稀释剂中，在0℃至60℃的条件下，在氢氧化钾或氢氧化钠粉末的存在下进行。所得产品可用作植物生长调节剂和杀菌剂的中间体。
• Antimicrobial azoles
  申请人：Bayer Aktiengesellschaft

  公开号：US04652579A1

  公开（公告）日：1987-03-24

  The invention relates to 1-hydroxylethyl-azole derivatives of formula (I) in composition form and includes the use of such compositions as antimicrobial agents.

  该发明涉及式(I)的1-羟乙基-唑衍生物的组合形式，并包括将这种组合物用作抗微生物剂的用途。
• Oxirane compounds
  申请人：Bayer Aktiengesellschaft

  公开号：US04532341A1

  公开（公告）日：1985-07-30

  Oxirane compounds of the formula ##STR1## in which R represents tert-butyl, iso-propyl radical, cyclopropyl, substituted cyclopropyl, cyclopentyl or substituted cyclopentyl, cyclohexyl or substituted cyclohexyl, in each case the substituent being selected from methyl, or phenyl which is optionally mono or di-substituted by identical or different substituents selected from fluorine, chlorine, methyl and trifluoromethyl, Y represents a grouping --OCH.sub.2 --, each Z is individually selected from the group consisting of a fluorine, chlorine or bromine atom, methyl, tert-butyl, cyclohexyl, methoxy, methylthio, trifluoromethyl, trifluoromethoxy, trifluoromethylthio, phenyl, phenoxy, benzyl and benzyloxy, said phenyl, phenoxy, benzyl and benzyloxy being optionally mono or di-substituted by identical or different substituents selected from fluorine, chlorine and methyl, m is 0, 1, 2 or 3; these compounds are particularly useful as intermediates for compounds used in agricultural compositions as plant growth regulants.

  氧环丙烷化合物的化学式为##STR1##，其中R代表叔丁基、异丙基基团、环丙基、取代环丙基、环戊基或取代环戊基、环己基或取代环己基，其中每种取代基被选择为甲基或苯基，苯基可以选择单取代或双取代，取代基包括氟、氯、甲基和三氟甲基，Y代表--OCH.sub.2--，每个Z分别选择自氟、氯或溴原子、甲基、叔丁基、环己基、甲氧基、甲硫基、三氟甲基、三氟甲氧基、三氟甲硫基、苯基、苯氧基、苄基和苄氧基，所述的苯基、苯氧基、苄基和苄氧基可以选择单取代或双取代，取代基包括氟、氯和甲基，m为0、1、2或3；这些化合物特别适用作为用于农业组合物中的中间体，用作植物生长调节剂。
• 1-Hydroxyethyl-azole compounds and agricultural compositions
  申请人：Bayer Aktiengesellschaft

  公开号：US04904298A1

  公开（公告）日：1990-02-27

  New 1-hydroxyethyl-azole derivatives of the general formula ##STR1## in which R represents an alkyl radical, an optionally substituted cycloalkyl radical or an optionally substituted phenyl radical, X represents a nitrogen atom or a CH group, Y represents a grouping --OCH.sub.2 --, --CH.sub.2 CH.sub.2 -- or --CH.dbd.CH--, Z represents a halogen atom, an alkyl, cycloalkyl, alkoxy, alkylthio, halogenoalkyl, halogenoalkoxy or halogenoalkylthio radical, an optionally substituted phenyl radical, an optionally substituted phenoxy radical, an optionally substituted phenylalkyl radical or an optionally substituted phenylalkoxy radical and m is 0, 1, 2 or 3, a process for their preparation and their use as plant growth regulators and fungicides.

  新的1-羟乙基唑衍生物的一般式为##STR1##其中R代表烷基基团，可选择置换的环烷基基团或可选择置换的苯基基团，X代表氮原子或CH基团，Y代表基团--OCH.sub.2 --，--CH.sub.2 CH.sub.2 --或--CH.dbd.CH--，Z代表卤素原子，烷基，环烷基，烷氧基，烷硫基，卤代烷基，卤代烷氧基或卤代烷硫基基团，可选择置换的苯基基团，可选择置换的苯氧基基团，可选择置换的苯基烷基基团或可选择置换的苯基烷氧基基团，m为0、1、2或3，其制备方法以及它们作为植物生长调节剂和杀菌剂的用途。