3,5-dimethyl-5-phenyl-2-pyrazoline | 75326-02-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3,5-dimethyl-5-phenyl-2-pyrazoline
• 英文别名: 3,5-dimethyl-5-phenyl-1,4-dihydropyrazole
• CAS: 75326-02-2
• 化学式: C₁₁H₁₄N₂
• 分子量: 174.246
• InChiKey: MZSPVUCVJLPAHG-UHFFFAOYSA-N

物化性质

• 沸点：
  272.6±43.0 °C(Predicted)
• 密度：
  1.05±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  24.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3,5-dimethyl-5-phenyl-2-pyrazoline 生成 3,5-Dimethyl-3-phenyl-3H-pyrazole
  参考文献：
  名称：

  3,3-二取代的3H-吡唑类中官能团向σ重排的迁移趋势

  摘要：

  3,3-二取代的3H-吡唑-通过四元基团之一的分子内σ1,5-（1,2-）转移而芳香化。通过对未催化的和酸催化的异构化反应的动力学研究，获得了在σ重排的官能团向中性中心和向阳离子中心迁移的趋势。

  DOI：

  10.1016/s0040-4039(00)92734-5

文献信息

• Pyridinesulfonamide derivatives and herbicides
  申请人：Nissan Chemical Industries Ltd.

  公开号：US05116405A1

  公开（公告）日：1992-05-26

  A pyridinesulfonamide derivative of the formula (I) and a salt thereof: ##STR1## wherein R.sup.1 is a halogen atom, a trifluoromethyl group, a C.sub.1 -C.sub.6 alkoxycarbonyl group, a C.sub.1 -C.sub.6 mono- or di-alkylaminocarbonyl group, a C.sub.1 -C.sub.6 alkxoy group, a C.sub.1 -C.sub.6 alkylsulfonyl group, a C.sub.1 -C.sub.6 alkylthio group, a C.sub.1 -C.sub.6 alkyl group substituted by a C.sub.1 -C.sub.6 alkoxy group, a C.sub.1 -C.sub.6 alkyl group substituted by a C.sub.1 -C.sub.6 mono- or poly-halogenoalkoxy group, a C.sub.1 -C.sub.6 mono- or poly-halogenoalkoxy group, a C.sub.1 -C.sub.6 mono- or di-alkylaminosulfonyl group, a C.sub.1 -C.sub.6 alkoxyaminosulfonyl group substituted by a C.sub.1 -C.sub.6 alkyl group, a nitro group, a C.sub.1 -C.sub.6 alkyl group substituted by a C.sub.1 -C.sub.6 alkylthio group, a C.sub.1 -C.sub.5 alkyl group substituted by a C.sub.1 -C.sub.6 alkylsulfonyl group, or a C.sub.1 -C.sub.6 alkyl group substituted by a C.sub.1 -C.sub.6 alkoxycarbonyl group; R.sup.2 is a hydrogen atom or a halogen atom; X is a oxygen atom or a sulfur atoms; and ##STR2## which are useful as herbicides.

  式（I）的吡啶磺酰胺衍生物及其盐： ##STR1## 其中，R1是卤原子、三氟甲基基团、C1-C6烷氧羰基基团、C1-C6单烷基或双烷基氨基羰基基团、C1-C6烷氧基、C1-C6烷基磺酰基、C1-C6烷基硫醇基、C1-C6烷基被C1-C6烷氧基取代、C1-C6烷基被C1-C6单烷基或多卤代烷氧基取代、C1-C6单烷基或多卤代烷氧基、C1-C6单烷基或双烷基氨基磺酰基、C1-C6烷氧基氨基磺酰基被C1-C6烷基取代、硝基、C1-C6烷基被C1-C6烷基硫醇基取代、C1-C5烷基被C1-C6烷基磺酰基取代或C1-C6烷基被C1-C6烷氧羰基取代；R2是氢原子或卤原子；X是氧原子或硫原子；以及 ##STR2## 它们是有用的除草剂。
• Pyridinesulfonamide derivatives as herbicides
  申请人：Nissan Chemical Industries Ltd.

  公开号：US05354731A1

  公开（公告）日：1994-10-11

  A pyridinesulfonamide derivative of the formula (I) and a salt thereof: ##STR1## wherein R.sup.1 is a halogen atom, a trifluoromethyl group, a C.sub.1 -C.sub.6 alkoxycarbonyl group, a C.sub.1 -C.sub.6 mono- or di-alkylaminocarbonyl group, a C.sub.1 -C.sub.6 alkoxy group, a C.sub.1 -C.sub.6 alkylsulfonyl group, a C.sub.1 -C.sub.6 alkylthio group, a C.sub.1 -C.sub.6 alkyl group substituted by a C.sub.1 -C.sub.6 alkoxy group, a C.sub.1 -C.sub.6 alkyl group substituted by a C.sub.1 -C.sub.6 mono- or poly-halogenoalkoxy group, a C.sub.1 -C.sub.6 mono- or poly-halogenoalkoxy group, a C.sub.1 -C.sub.6 mono- or di-alkylaminosulfonyl group, a C.sub.1 -C.sub.6 alkoxyaminosulfonyl group substituted by a C.sub.1 -C.sub.6 alkyl group, a nitro group, a C.sub.1 -C.sub.6 alkyl group substituted by a C.sub.1 -C.sub.6 alkylthio group, a C.sub.1 -C.sub.6 alkyl group substituted by a C.sub.1 -C.sub.6 alkylsulfonyl group, or a C.sub.1 -C.sub.6 alkyl group substituted by a C.sub.1 -C.sub.6 alkoxycarbonyl group; R.sup.2 is a hydrogen atom or a halogen atom; X is a oxygen atom or a sulfur atom; and G is ##STR2## which are useful as herbicides.

  化合物及其盐的式(I)的吡啶磺酰胺衍生物：##STR1## 其中，R.sup.1是卤素原子、三氟甲基基团、C.sub.1-C.sub.6烷氧羰基基团、C.sub.1-C.sub.6单烷基或双烷基氨基羰基基团、C.sub.1-C.sub.6烷氧基、C.sub.1-C.sub.6烷基磺酰基、C.sub.1-C.sub.6烷基硫基、C.sub.1-C.sub.6烷基被C.sub.1-C.sub.6烷氧基取代、C.sub.1-C.sub.6烷基被C.sub.1-C.sub.6单烷基或多卤代烷氧基取代、C.sub.1-C.sub.6单烷基或多卤代烷氧基、C.sub.1-C.sub.6单烷基或双烷基氨基磺酰基、被C.sub.1-C.sub.6烷基取代的C.sub.1-C.sub.6烷氧基氨基磺酰基、硝基、C.sub.1-C.sub.6烷基被C.sub.1-C.sub.6烷基硫基取代、C.sub.1-C.sub.6烷基被C.sub.1-C.sub.6烷基磺酰基取代或C.sub.1-C.sub.6烷基被C.sub.1-C.sub.6烷氧羰基取代；R.sup.2是氢原子或卤素原子；X是氧原子或硫原子；G是##STR2## 这些化合物是除草剂。
• SULFAMIDOSULFONAMIDE DERIVATIVES AND HERBICIDES
  申请人：NISSAN CHEMICAL INDUSTRIES, LIMITED

  公开号：EP0596109A1

  公开（公告）日：1994-05-11
• US5116405A
  申请人：——

  公开号：US5116405A

  公开（公告）日：1992-05-26
• US5152824A
  申请人：——

  公开号：US5152824A

  公开（公告）日：1992-10-06