1-甲基-5-苯基-2-吡唑啉 | 53657-63-9

• 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-甲基-5-苯基-2-吡唑啉
• 英文名称: 1-methyl-5-phenyl-2-pyrazoline
• 英文别名: 1-methyl-5-phenyl-4,5-dihydro-1H-pyrazole；1-Methyl-5-phenyl-4,5-dihydro-1H-pyrazol；1-Methyl-5-phenyl-Δ²-pyrazolin；Methyl-1 phenyl-5pyrazolin-2；4,5-Dihydro-1-methyl-5-phenyl-1H-pyrazole；2-methyl-3-phenyl-3,4-dihydropyrazole
• CAS: 53657-63-9
• 化学式: C₁₀H₁₂N₂
• 分子量: 160.219
• InChiKey: NQBSUJSKYDNNTI-UHFFFAOYSA-N

物化性质

• 沸点：
  137-138 °C(Press: 30 Torr)
• 密度：
  1.06±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 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：
  15.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-甲基-5-苯基-2-吡唑啉 在 aluminum oxide 作用下， 以 甲苯 为溶剂， 反应 0.5h， 生成 1-Methyl-3,5-diphenyl-2-pyrazolin
  参考文献：
  名称：

  Reactivity and diastereoselectivity of Grignard reagents toward the hydrazone functionality in toluene solvent

  摘要：

  Grignard reagents, in toluene solvent, display a strongly increased reactivity toward the hydrazone functionality. With the chiral synthon 1, a highly diastereoselective addition occurs, through chelation control, whereas with pyrazolines 4 and 9 only the d,l diastereomer is formed, leading to a very short synthesis of 1,3-diphenyl-1,3-diaminopropane (11).

  DOI：

  10.1021/jo00043a001
• 作为产物：
  描述：

  cis-1-phenyl-2-(methylazo)cyclopropane 以 氘代苯 为溶剂， 生成 1-甲基-5-苯基-2-吡唑啉
  参考文献：
  名称：

  Photochemical reinvestigation of a 5-phenyl-2-pyrazoline and its product azocyclopropanes

  摘要：

  DOI：

  10.1021/jo00375a008

文献信息

• Pyrazoline derivatives for treating cerebrovascular diseases
  申请人：Mitsui Toatsu Chemicals, Inc.

  公开号：US04839376A1

  公开（公告）日：1989-06-13

  2-Pyrazoline derivatives of the formula (A): ##STR1## where R.sup.1 is a pyridyl, a pyrazyl or an alkoxy group; and R.sup.2 is a hydrogen atom, an alkyl, a pyridyl, a furyl, phenyl or a substituted phenyl group, and to a process for producing the same. Therapeutic agents for treating cerebrovascular diseases containing, as the active ingredient, a 2-pyrazoline derivative represented by the formula (G): ##STR2## where R.sup.3 is a hydrogen atom, an alkyl, acetyl, an alkoxycarbonyl, an amino, benzoyl, a substituted benzoyl, a pyridylcarbonyl, a furylcarbonyl, a thienylcarbonyl, a pyrazylcarbonyl, an N-substituted carbamoyl, an N-substituted thiocarbamoyl, or carboxy group; and R.sup.4 is a hydrogen atom, an alkyl, a pyridyl, a thienyl, a furyl, cyclohexyl, phenyl or a substituted phenyl group or a pharmaceutically acceptable salt thereof. These therapeutic agents cope with cerebral edemas in the acute stage of cerebral apoplexy and regulates the whole-body and intracranial body circulation, thereby protecting ischemic lesions and minimizing the spread to affected parts.

  2-吡唑啉衍生物的化学式（A）：##STR1##其中R.sup.1是吡啶基，吡唑基或烷氧基；R.sup.2是氢原子，烷基，吡啶，呋喃基，苯基或取代苯基，以及制备这些化合物的方法。治疗脑血管疾病的药物，其活性成分是由化学式（G）表示的2-吡唑啉衍生物：##STR2##其中R.sup.3是氢原子，烷基，乙酰基，烷氧羰基，氨基，苯甲酰基，取代苯甲酰基，吡啶羰基，呋喃羰基，噻吩羰基，吡唑基羰基，N-取代氨基甲酰基，N-取代硫氨基甲酰基或羧基；R.sup.4是氢原子，烷基，吡啶，噻吩，呋喃，环己基，苯基或取代苯基或其药用可接受盐。这些治疗药物用于急性脑卒中的脑水肿，并调节全身和颅内循环，从而保护缺血病变并最小化蔓延到受影响部位。
• Die Addition von Dienophilen an Azine
  作者：M. Häring、T. Wagner-Jauregg

  DOI：10.1002/hlca.19570400335

  日期：——

  2)-pyrazolidin (XVII), was einerseits aus dem oxydativen Abbau zu 3-Phenylpyrazol, anderseits aus dem Vergleich des IR.-Spektrums mit den IR.-Spektren zweier ähnlicher Pyrazolidino-(1,2)-pyrazolidine von gesicherter Struktur hervorgeht. Die Stellung der Substituenten im Additionsprodukt wurde aus dem Verlauf der thermischen Aufspaltung ermittelt. Furfuraldazin bildet mit Acrylsäure-methylester ein analog

  Benzaldazin Lagert Zwei MolekelnAcrylsäure-甲酯 Das Additions生产的产品被吡唑烷二酮-（1,2）-吡唑醇丁（XVII）取代，是羟丁二酸Abbau zu 3-Phenylpyrazol的衍生物，并且是Vergleich des IR.-Spektrums mit den IR.-Spektrencher zweier的衍生物。 ，2）-吡唑烷酮 替代品生产合同书 呋喃丹嗪二甲酸酯与模拟产品类似物生产的甲基丙烯酸酯。
• Photoreaktionen von 5-Phenyl-pyrazolinen. Vorläufige Mitteilung
  作者：H. J. Rosenkranz、H. Schmid

  DOI：10.1002/hlca.19680510718

  日期：1968.10.31

  On irradiation in benzene 1-methyl-5-phenyl-Δ2-pyrazoline (1) is partly converted into trans- and cis-1-methylazo-2-phenyl-cyclopropanes (2 and 3) in the ratio of 23:77. Both 2 and 3 on thermal treatment are reconverted to 1. A concurrent thermal equilibration of 2 and 3 is also observed. 1, 3-Dimethyl-5-phenyl-Δ2-pyrazoline (5) on irradiation in benzene yields the corresponding trans- and cis-1-m

  对苯照射1-甲基-5-苯基- Δ 2 -吡唑啉（1）被部分地转化成反式-和顺式-1- methylazo -2-苯基-环丙烷（2和3）中的23:77的比率。既2和3上的热处理被重新转换为1。还观察到同时存在2和3的热平衡。1,3-二甲基-5-苯基- Δ 2 -吡唑啉（5）上照射在苯，得到相应的反式-和顺式-1- methylazo -1-甲基-2-苯基-环丙烷（6和7）。与此相反，5-苯基Δ的类似的处理2 -吡唑啉给出benz-和cinnamaldazine（9和11与相应的混合醛连氮（沿）10）。
• Pyrazolone derivatives for treating cerebrovascular diseases
  申请人：Mitsui Toatsu Chemicals

  公开号：US04990529A1

  公开（公告）日：1991-02-05

  2-Pyrazoline derivatives of the formula (A): ##STR1## where R.sup.1 is a pyridyl, a pyrazyl or an alkoxyl group; and R.sup.2 is a hydrogen atom, an alkyl, a pyridyl, a furyl, phenyl or a substituted phenyl group, and to a process for producing the same. Therapeutic agents for treating cerebrovascular diseases containing, as the active ingredient, a 2-pyrazoline derivative represented by the formula (G): ##STR2## where R.sup.3 is a hydrogen atom, an alkyl, acetyl, an alkoxycarbonyl, an amino, benzoyl, a substituted benzoyl, a pyridylcarbonyl, a furylcabonyl, a thienylcarbonyl, a pyrazylocarbonyl, an N-substituted carbamoyl, an N-substituted thiocarbamoyl, or carboxyl group; and R.sup.4 is a hydrogen atom, an alkyl, a pyridyl, a thienyl, a furyl, cyclohexyl, phenyl or a substituted phenyl group or a pharmaceutically acceptable salt thereof. These therapeutic agents cope with cerebral edemas in the acute stage of cerebral apoplexy and regulates the whole-body and intracranial body circulation, thereby protecting ischemic lesions and minimizing the spread to affected parts.

  化学式为(A)的2-吡唑烷衍生物：##STR1## 其中R.sup.1是吡啶基，吡唑基或烷氧基；R.sup.2是氢原子，烷基，吡啶基，呋喃基，苯基或取代苯基，并提供一种制备它们的方法。治疗脑血管疾病的药物，其活性成分为2-吡唑烷衍生物，化学式为(G)：##STR2## 其中R.sup.3是氢原子，烷基，乙酰基，烷氧羰基，氨基，苯甲酰基，取代苯甲酰基，吡啶基羰基，呋喃基羰基，噻吩基羰基，吡唑基羰基，N-取代氨基甲酰基，N-取代硫代氨基甲酰基或羧基；R.sup.4是氢原子，烷基，吡啶基，噻吩基，呋喃基，环己基，苯基或取代苯基或其药学上可接受的盐。这些治疗剂对于急性脑卒中的脑水肿有作用，并调节全身和颅内循环，从而保护缺血损伤并最小化对受影响部位的扩散。
• SYNTHESIS OF SUBSTITUTED PYRAZOLINE CARBOXAMIDINE DERIVATIVES
  申请人：van Loevezijn Arnold

  公开号：US20130060041A1

  公开（公告）日：2013-03-07

  This invention relates to organic chemistry, in particular to processes for the preparation of pyrazoline carboxamidine derivatives of formula (I), known as potent 5-HT6 antagonists. The invention also relates to novel intermediates of these compounds. wherein the symbols have the meanings given in the description.

  本发明涉及有机化学，特别是关于制备式(I)的吡唑啉羧酰胺衍生物的过程，这些衍生物被称为有效的5-HT6受体拮抗剂。本发明还涉及这些化合物的新型中间体。其中符号的含义如描述所示。