1-苯基-4,5-二氢-1H-吡唑 | 936-53-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1-苯基-4,5-二氢-1H-吡唑
• 英文名称: 1-phenyl-4,5-dihydro-1H-pyrazole
• 英文别名: 1H-pyrazole, 4,5-dihydro-1-phenyl-；1-phenyl-2-pyrazoline；N-phenylpyrazoline；1-phenyl-4,5-dihydro-1H-pyrazole；1-Phenyl-4,5-dihydro-1H-pyrazol；phenylpyrazoline；2-phenyl-3,4-dihydropyrazole
• CAS: 936-53-8
• 化学式: C₉H₁₀N₂
• mdl: MFCD09032131
• 分子量: 146.192
• InChiKey: IUHNMXNPPUIQHZ-UHFFFAOYSA-N

物化性质

• 熔点：
  52°C
• 沸点：
  255.81°C (rough estimate)
• 密度：
  1.0689

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  15.6
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2933199090

反应信息

• 作为反应物：
  描述：

  1-苯基-4,5-二氢-1H-吡唑 在 吡啶 、 potassium permanganate 、 三氟化硼 、 水 作用下， 生成 1-苯基-3-吡唑甲酸
  参考文献：
  名称：

  Differences in Wage Distributions Between Canada and the United States: An Application of a Flexible Estimator of Distribution Functions in the Presence of Covariates

  摘要：

  We construct a tractable, flexible-functional-form estimator of cumulative distribution functions for non-negative random variables which admits large numbers of covariates. The estimator adopts and extends techniques from the spell-duration literature for estimating hazard functions to distribution functions for wages, earnings, and income. We apply these methods to investigate sources of wage inequality for full-time male workers between Canada and the United States, finding that the Canadian wage density has a thinner left tail because low-educated workers have higher pay and a thinner right tail because of a lower proportion of highly-educated workers. Unions appear to play a large role in these outcomes.

  DOI：

  10.1111/1467-937x.00147
• 作为产物：
  描述：

  N-(3-azidopropyl)aniline 在 iron(III) chloride 作用下， 以 四氢呋喃 为溶剂， 100.0 ℃ 、101.33 kPa 条件下， 反应 1.0h， 以87%的产率得到1-苯基-4,5-二氢-1H-吡唑
  参考文献：
  名称：

  Fe(III)-Catalyzed Aerobic Intramolecular N–N Coupling of Aliphatic Azides with Amines

  摘要：

  An Fe(III)-catalyzed intramolecular N-N coupling of aliphatic azidoamines that forms diverse five-and six-membered semisaturated diazoheterocycles using air as an oxidant is reported, providing an alternative to hydrazine-based methods. Mechanistic studies suggest that a N-radical induced intramolecular homolytic substitution (S(H)2) is involved in ring closure. The power of this N-N bond-forming method is also demonstrated by using it as the final step in a total synthesis of (-)-newbouldine.

  DOI：

  10.1021/acs.orglett.9b01396

文献信息

• [EN] HERBICIDAL ISOXAZOLO[5,4-B]PYRIDINES<br/>[FR] ISOXAZOLO[5,4-B]PYRIDINES HERBICIDES
  申请人：BASF SE

  公开号：WO2012010633A1

  公开（公告）日：2012-01-26

  The invention relates to isoxazolo[5,4-b]pyridine compounds of formula (I), to the agriculturally useful salts of isoxazolo[5,4-b]pyridine compounds of formula (I), and to their use as herbicides.

  这项发明涉及式(I)的异噁唑并[5,4-b]吡啶化合物，以及式(I)的异噁唑并[5,4-b]吡啶化合物的农业上有用的盐，以及它们作为除草剂的用途。
• [EN] HERBICIDAL ISOXAZOLO[5,4-B]PYRIDINES<br/>[FR] ISOXAZOLO[5,4-B]PYRIDINES
  申请人：BASF SE

  公开号：WO2013104561A1

  公开（公告）日：2013-07-18

  The invention relates to isoxazolo[5,4-b]pyridine compounds of formula (I), to the agriculturally useful salts of isoxazolo[5,4-b]pyridine compounds of formula (I), and to their use as herbicides.

  这项发明涉及到式(I)的异噁唑并[5,4-b]吡啶化合物，以及式(I)的异噁唑并[5,4-b]吡啶化合物的农业上有用的盐，以及它们作为除草剂的用途。
• [EN] PYRIDOTHIAZINES HAVING HERBICIDAL ACTION<br/>[FR] PYRIDOTHIAZINES À ACTION HERBICIDE
  申请人：BASF SE

  公开号：WO2011117152A1

  公开（公告）日：2011-09-29

  Substituted pyridines of the formula I in which the variables are defined according to the description, processes and intermediates for preparing the compounds of the formula I and their N-oxides, their agriculturally suitable salts, compositions comprising them and their use as herbicides, and also methods for controlling unwanted vegetation.

  将公式I中定义的变量的吡啶替代物，用于制备公式I化合物及其N-氧化物的过程和中间体，它们的农业适用盐，包含它们的组合物以及它们作为除草剂的用途，以及控制不受欢迎植被的方法。
• [EN] ANTI PARASITIC DIHYDROAZOLE COMPOUNDS AND COMPOSITIONS COMPRISING SAME<br/>[FR] DIHYDROAZOLES ANTIPARASITAIRES ET COMPOSITIONS LES INCLUANT
  申请人：MERIAL LTD

  公开号：WO2011075591A1

  公开（公告）日：2011-06-23

  The present invention relates to novel dihydroazole of formula (I) and salts thereof: Wherein R1, A1, A2, G, X and Y are as defined in the description, compositions thereof, processes for their preparation and their uses to prevent or treat parasitic infections or infestations in animals and as pesticides.

  本发明涉及式(I)的新型二氢咪唑及其盐：其中R1、A1、A2、G、X和Y如描述中所定义，以及它们的组合物、制备方法以及它们用于预防或治疗动物寄生虫感染或寄生虫侵袭以及作为杀虫剂的用途。
• Agrochemical Composition Comprising Pesticide and UV Absorber
  申请人：Misske Andrea

  公开号：US20110237665A1

  公开（公告）日：2011-09-29

  The present invention relates to an agrochemical composition comprising pesticide and UV absorber, and the abovementioned UV absorbers. The invention furthermore relates to the use of the UV absorbers in agrochemical compositions. It moreover relates to a method of controlling phytopathogenic fungi and/or undesirable plant growth and/or undesirable insect or mite infestation and/or of regulating plant growth.

  本发明涉及一种包括杀虫剂和紫外线吸收剂的农药组合物，以及上述紫外线吸收剂。此外，该发明还涉及在农药组合物中使用紫外线吸收剂。此外，它还涉及一种控制植物病原真菌和/或不良植物生长和/或不良昆虫或螨虫侵袭和/或调节植物生长的方法。