3-methyl-5-phenyl-4,5-dihydro-isoxazole | 7064-06-4

• 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-methyl-5-phenyl-4,5-dihydro-isoxazole
• 英文别名: (5R)-3-methyl-5-phenyl-4,5-dihydro-1,2-oxazole
• CAS: 7064-06-4；127619-66-3
• 化学式: C₁₀H₁₁NO
• 分子量: 161.203
• InChiKey: KPHATKPOJFGEAO-SNVBAGLBSA-N

物化性质

• 沸点：
  123-125 °C(Press: 3 Torr)
• 密度：
  1.09±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  21.6
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• Bis(difluoromethyl)pyrazoles as Fungicides
  申请人：CRISTAU Pierre

  公开号：US20110224257A1

  公开（公告）日：2011-09-15

  Bis(difluoromethyl)pyrazole derivatives of the formula (I) in which the symbols R 1 , X and G are each as defined in the description, and agrochemically active salts, metal complexes and N-oxides thereof, and use thereof for controlling phytopathogenic harmful fungi, and also processes for preparing compounds of the formula (I).

  式(I)的双(二氟甲基)吡唑衍生物，其中符号R1、X和G分别如描述中定义，以及其农药活性盐、金属络合物和N-氧化物，以及其用途用于控制植物病原真菌，以及制备式(I)化合物的方法。
• 1-[2-[3,5-SUBSTITUTED-1H-PYRAZOL-1-YL]ACETYL]-4-PIPERIDINE-CARBONITRILE AND -CARBOTHIAMIDE DERIVATIVES AS INTERMEDIATES IN THE PREPARATION OF FUNGICIDES FOR CROP PROTECTION
  申请人：E. I. du Pont de Nemours and Company

  公开号：EP3239145A1

  公开（公告）日：2017-11-01

  1-[2-[3,5-substituted-1H-pyrazol-1-yl]acetyl]-4-piperidine-carbonitrile and -carbothiamide derivatives of formula 1B as intermediates in the preparation of fungicides for crop protection. Preferred final compounds prepared therefrom are e.g. 4-[4-[4,5-dihydro-5-phenyl-3-isoxazolyl]-2-thiazolyl]-1-[[1H-pyrazol-1-yl]acetyl]piperidine derivatives.

  1-[2-[3,5-取代的-1H-吡唑-1-基]乙酰基]-4-哌啶-甲腈和式 1B 的-羧噻嗪衍生物，作为制备作物保护用杀菌剂的中间体。 由此制备的优选最终化合物如 4-[4-[4,5-二氢-5-苯基-3-异恶唑基]-2-噻唑基]-1-[[1H-吡唑-1-基]乙酰基]哌啶衍生物。
• (5R)-4,5-DIHYDRO-ISOXAZOLE DERIVATIVES AS WELL AS 1-(2-CHLOROACETYL)-4-PIPERIDINE-CARBONITRILE AND -CARBOXAMIDE DERIVATIVES AS INTERMEDIATES IN THE PREPARATION OF E.G. 4-[4-[(5R)-4,5-DIHYDRO-ISOXAZOL-3-YL]-THIAZOL-2-YL]-PIPERIDINE DERIVATIVES AS FUNGICIDES FOR CROP PROTECTION
  申请人：E. I. du Pont de Nemours and Company

  公开号：EP3239137A1

  公开（公告）日：2017-11-01

  (5R)-4,5-dihydro-isoxazole derivatives as well as 1-(2-chloroacetyl)-4-piperidinecarbonitrile and 1-(2-chloroacetyl)-N-(1,1-dimethylethyl)-4-piperidinecarboxamide as intermediates in the preparation of e.g. 4-[4-[(5R)-4,5-dihydro-isoxazoI-3-yl]-thiazol-2-yl]-piperidine derivatives as fungicides for crop protection. Exemplary intermediates are e.g. N,N-dimethyl-[(5R)-4,5-dihydro-5-phenyl-isoxazol-3-yl]-carboxamide and 2-bromo-[(5R)-4,5-dihydro-5-phenyl-isoxazol-3-yl]-ethanone.

  (5R)-4,5-二氢-异噁唑衍生物以及 1-(2-氯乙酰基)-4-哌啶甲腈和 1-(2-氯乙酰基)-N-(1,1-二甲基乙基)-4-哌啶甲酰胺作为中间体，用于制备例如.g.4-[4-[(5R)-4,5-二氢-异恶唑-I-3-基]-噻唑-2-基]-哌啶衍生物作为作物保护用杀菌剂的中间体。 典型的中间体有 N,N-二甲基-[(5R)-4,5-二氢-5-苯基-异恶唑-3-基]-甲酰胺和 2-溴-[(5R)-4,5-二氢-5-苯基-异恶唑-3-基]-乙酮等。
• BIS(DIFLUORMETHYL)PYRAZOLE ALS FUNGIZIDE
  申请人：Bayer CropScience AG

  公开号：EP2516426B1

  公开（公告）日：2015-09-16
• Intermediates for the preparation of 1-(acetyl)-piperidine and 1-(acetyl)-piperazine derivatives as fungicides for use in plant protection
  申请人：E. I. du Pont de Nemours and Company

  公开号：EP2712616B1

  公开（公告）日：2017-04-19