1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-1-penten-3-one

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-1-penten-3-one
• 英文别名: 1-(2,4-dichlorophenyl)-2-(1,2,4-triazole-1-yl)-4,4-dimethyl-1-pentene-3-one；1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)-4,4-dimethyl-1-penten-3-one；(Z)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one
• 化学式: C₁₅H₁₅Cl₂N₃O
• 分子量: 324.21
• InChiKey: LFLAXRVXFCJYOI-MLPAPPSSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  47.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-1-penten-3-one 以93%的产率得到
  参考文献：
  名称：

  Oda Yoshiaki, Ikeda Takaharu, Tada Kazuhiro, Synt. Commun, 24 (1994) N 15, S 2195- 2202

  摘要：

  DOI：
• 作为产物：
  描述：

  1-(2,4-dichlorophenyl)-1-hydroxy-2-(1,2,4-triazol-1-yl)-4,4-dimethyl-pentan-3-one 生成 1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-1-penten-3-one
  参考文献：
  名称：

  IKEDA, TAKAHARU;TADA, KAZUHIRO

  摘要：

  DOI：

文献信息

• Triazole compounds, and their production
  申请人：Sumitomo Chemical Company, Limited

  公开号：US04904793A1

  公开（公告）日：1990-02-27

  A triazole compound of the formula: ##STR1## wherein X is a hydrogen atom or a chlorine atom, which can be produced by subjecting an aromatic aldehyde of the formula: ##STR2## wherein X is as defined above, an alpha-halopinacolone of the formula: ##STR3## wherein Hal is a chlorine atom or a bromine atom and 1,2,4-triazole to condensation in the presence of an alkali, is useful as an intermediate in the synthesis of anti-microbial triazole-alcohols with high purity and high yield.

  以下是翻译结果： 一种三唑化合物的化学式为：##STR1## 其中X为氢原子或氯原子，可以通过在碱存在下将化学式为：##STR2## 其中X如上定义， alpha-卤代品那科隆化合物的化学式为：##STR3## 其中Hal为氯原子或溴原子，与1,2,4-三唑进行缩合反应生成。该化合物作为合成高纯度和高产率的抗微生物三唑醇的中间体，具有广泛的应用价值。
• Optical isomer of a triazolylpentenol, and its production and use as fungicide
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0054431A1

  公开（公告）日：1982-06-23

  Triazolyl alcohol derivative having an optical activity of (-) or (+) and represented by the general formula (1), wherein X represents a hydrogen atom or a chlorine atom and the asterisk indicates an asymmetric carbon atom, are prepared by stereospecific reduction of the corresponding ketone or by resolution of the racemate. The (-)-isomer is useful as a fungicide while the (+)-isomer is useful as a plant growth regulant or herbicide.

  三唑醇衍生物的光学活性为(-)或(+)，由通式(1)表示，其中 X 代表氢原子或氯原子，星号表示不对称碳原子。 (-)-异构体可用作杀真菌剂，而(+)-异构体可用作植物生长调节剂或除草剂。
• (+)-Triazolylpentenol derivative, its production and use as herbicide and/or plant growth regulant
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0121284A2

  公开（公告）日：1984-10-10

  Triazolyl alcohol derivative having an optical activity of (-) or (+) and represented by the general formula (I), wherein X represents a hydrogen atom or a chlorine atom and the asterisk indicates an asymmetric carbon atom, are prepared by stereospecific reduction of the corresponding ketone or by resolution of the racemate. The (-)-isomer is useful as a fungicide while the (+)-isomer is useful as a plant growth regulant or herbicide.

  光学活性为(-)或(+)的三唑醇衍生物由通式(I)表示、 其中 X 代表氢原子或氯原子，星号表示不对称碳原子，通过相应酮的立体还原或外消旋体的解析制备。(-)-异构体可用作杀真菌剂，而(+)-异构体可用作植物生长调节剂或除草剂。
• An asymmetrically modified boron hydride type compound, a production method thereof, and a method for producing an optically active alcohol derivative by the use thereof
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0170350A1

  公开（公告）日：1986-02-05

  An asymmetrically modified borohydride type compound is obtained by reacting an optically active amino alcohol of the formula: ,or its salt with an acid with a borohydride compound. The modified borohydride compound may be used for producing an optically active alcohol derivative which is useful as a fungicide, herbicide or plant growth regulator, which alcohol derivative has the formula: and is obtained by carrying out the asymmetric reduction of the corresponding ketone compound with the asymmetrically modified boron hydride type compound.

  一种不对称改性硼氢化合物是通过将式: 或其盐的光学活性氨基醇与酸和硼氢化合物反应而得到的。 改性硼氢化合物可用于生产光学活性醇衍生物，该衍生物可用作杀真菌剂、除草剂或植物生长调节剂，该醇衍生物的式为: 并通过将相应的酮化合物与不对称改性硼氢化合物进行不对称还原而得到。
• An optically active borane complex and a method for producing an optically active alcohol derivative by the use thereof
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0171175A1

  公开（公告）日：1986-02-12

  An optically active borane complex represented by the general formula, wherein R1 represents an aryl group, R2 represents an alkyl group and a mark * means an asymmetric carbon, is capable of producing optically active alcohol derivatives by the reduction of prochiral ketones with the borane complex. The optically active alcohol derivative is useful for fungicides, herbicides or plant growth regulators.

  由通式表示的光学活性硼烷络合物、 其中 R1 代表芳基，R2 代表烷基，标记 * 表示不对称碳，通过用硼烷络合物还原原手性酮，可生产出光学活性醇衍生物。光学活性醇衍生物可用于杀真菌剂、除草剂或植物生长调节剂。