3-(trifluoromethyl)phenylmethyl β-hydroxy-α-methylene-3-pyridinepropanoate | 869893-23-2

• 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: 3-(trifluoromethyl)phenylmethyl β-hydroxy-α-methylene-3-pyridinepropanoate
• 英文别名: (3-trifluoromethylphenyl)methyl 2-[hydroxy(pyridine-3-yl)methyl]acrylate；3-(Trifluoromethyl)phenylmethyl beta-hydroxy-alpha-methylene-3-pyridinepropanoate；[3-(trifluoromethyl)phenyl]methyl 2-[hydroxy(pyridin-3-yl)methyl]prop-2-enoate
• CAS: 869893-23-2
• 化学式: C₁₇H₁₄F₃NO₃
• 分子量: 337.298
• InChiKey: MODXITJPJOROBK-UHFFFAOYSA-N

物化性质

• 沸点：
  453.2±45.0 °C(Predicted)
• 密度：
  1.318±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  59.4
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4-甲基吡唑 、 3-(trifluoromethyl)phenylmethyl β-hydroxy-α-methylene-3-pyridinepropanoate 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 生成 3-(trifluoromethyl)phenylmethyl β-hydroxy-α-(4-methyl-1-pyrazolylmethyl)-3-pyridinepropanoate
  参考文献：
  名称：

  3-Aryl-3-hydroxy-and 3-aryl-3-oxopropionic acid esters as fungicides

  摘要：

  公式I的化合物：其中Ar是芳基，Ar1是5或6成员芳香或杂芳基团，Z1是—OH，Z2是H；或Z1和Z2一起是 ═O；还描述了制备这些化合物的方法，含有这些化合物的组合物，以及使用这些化合物的方法，特别是作为杀真菌剂。

  公开号：

  US20050277663A1
• 作为产物：
  描述：

  3-吡啶甲醛 、 3-(trifluoromethyl)benzyl acrylate 在 三乙烯二胺 作用下， 以52%的产率得到3-(trifluoromethyl)phenylmethyl β-hydroxy-α-methylene-3-pyridinepropanoate
  参考文献：
  名称：

  [EN] 3-ARYL-3-HYDROXY-2-METHYLENEPROPIONIC ACID ESTERS AS FUNGICIDES
  [FR] ESTERS D'ACIDE 3-ARYL-3-HYDROXY-2-METHYLENEPROPIONIQUE UTILISES EN TANT QUE FONGICIDES

  摘要：

  本文描述了化学式为(I)的化合物，以及其组合物、使用方法（尤其是作为杀真菌剂的方法）和制备方法。

  公开号：

  WO2005115148A1

文献信息

• 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides
  申请人：Anderson Richard

  公开号：US20060094739A1

  公开（公告）日：2006-05-04

  Compounds of formula I are described: along with compositions thereof, methods of use thereof (particularly as fungicides), and methods of making the same.

  本文描述了化学式I的化合物，以及它们的组成、使用方法（特别是作为杀真菌剂的方法）和制备方法。
• FUNGICIDAL MIXTURES III
  申请人：BASF SE

  公开号：EP2219459A2

  公开（公告）日：2010-08-25
• Fungicidal Mixtures III
  申请人：Renner Jens

  公开号：US20100273649A1

  公开（公告）日：2010-10-28

  The present invention relates to mixtures of fungicidally active compounds comprising at least one substituted 2-[hydroxyl(pyridine-3-yl)methyl]acrylate compound of the formula I wherein: R 1 is H, C 1 -C 6 -alkyl, C 1 -C 6 -alkoxy-C 1 -C 6 -alkyl, C 1 -C 6 -haloalkyl, aryl or heteroaryl, wherein the cyclic moieties of the last two radicals are unsubstituted or substituted with 1, 2 or 3 radicals selected from halogen, C 1 -C 4 -alkyl, C 2 -C 4 -alkynyl, C 1 -C 4 -haloalkyl, C 1 -C 4 -alkoxy, C 1 -C 4 -alkylthio, C 1 -C 4 -haloalkoxy, cyano and nitro; A is a covalent bond or C 1 -C 4 -alkylen, which is unsubstituted or which may carry a substitutent selected from C 1 -C 4 -alkyl, C 1 -C 4 -haloalkyl, C 1 -C 4 -alkoxy and cyano; Ar is aryl or heteroaryl, wherein the cyclic moieties of the aromatic radicals are unsubstituted or substituted with 1, 2 or 3 radicals R a , where the radicals R a are identical or different and selected from halogen, C 1 -C 4 -alkyl, C 2 -C 4 -alkenyl, C 2 -C 4 -alkynyl, C 1 -C 4 -haloalkyl, C 1 -C 4 -alkoxy, C 1 -C 4 -alkylthio, C 1 -C 4 -haloalkoxy, C 1 -C 4 -haloalkylthio, cyano, nitro, aryl, hetaryl, aryloxy, hetaryloxy, aryloxy-C 1 -C 4 -alkyl and hetaryloxy-C 1 -C 4 -alkyl, wherein the cyclic moieties of the six last mentioned radicals are unsubstituted or substituted with 1, 2 or 3 radicals selected from halogen, C 1 -C 4 -alkyl, C 1 -C 4 -haloalkyl, C 1 -C 4 -alkoxy, C 1 -C 4 -alkylthio, C 1 -C 4 -haloalkoxy, cyano and nitro; or a salt thereof; and at least one further fungicidally active compound II.
• US7541472B2
  申请人：——

  公开号：US7541472B2

  公开（公告）日：2009-06-02
• [EN] 3-ARYL-3-HYDROXY- AND 3-ARYL-3-OXOPROPIONIC ACID ESTERS AS FUNGICIDES<br/>[FR] ESTERS D'ACIDE 3-OXOPROPIONIQUE 3-ARYL-3-HYDROXY- ET 3-ARYLE UTILISES COMME FONGICIDES
  申请人：CROPSOLUTION INC

  公开号：WO2005123727A1

  公开（公告）日：2005-12-29

  Compounds of formula I: wherein Ar is aryl, Ar1 is a 5 or 6-membered aromatic or heteroaromatic group, Z1 is -OH and Z2 is H; or Z1 and Z2 together are =O; are described, along with methods of making the same, compositions containing the same, and methods of using the same, particularly as fungicides.