5-(1-methylethyl)-3-methyl-1-phenylpyrazole | 58442-47-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-(1-methylethyl)-3-methyl-1-phenylpyrazole
• 英文别名: 5-isopropyl-3-methyl-1-phenyl-1H-pyrazole；5-isopropyl-3-methyl-1-phenylpyrazole；5-Isopropyl-3-methyl-1-phenylpyrazol；5-isopropyl-3-methyl-1-phenyl-1H-pyrazole；3-Methyl-1-phenyl-5-propan-2-ylpyrazole
• CAS: 58442-47-0
• 化学式: C₁₃H₁₆N₂
• 分子量: 200.283
• InChiKey: HAINHQTUSWGSMQ-UHFFFAOYSA-N

物化性质

• 沸点：
  292.6±9.0 °C(Predicted)
• 密度：
  1.01±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  17.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  (E)-5-Methoxy-2-methyl-6-(triphenyl-λ5-phosphanylidene)-hex-4-en-3-one 在 盐酸 、 sodium hydroxide 作用下， 以 水 为溶剂， 反应 29.0h， 生成 5-(1-methylethyl)-3-methyl-1-phenylpyrazole
  参考文献：
  名称：

  Oehler, Elisabeth; Zbiral, Erich, Chemische Berichte, 1980, vol. 113, # 9, p. 2852 - 2867

  摘要：

  DOI：

文献信息

• Study of the reactivity of α-acylenaminoketones. Synthesis of pyrazoles
  作者：Giuseppina Negri、Concetta Kascheres

  DOI：10.1002/jhet.5570380116

  日期：2001.1

  obtaining substituted pyrazoles and determining which of the carbonyls would preferentially be attacked by the nucleophile. The reactions of compounds 1–4 with hydrazine reagents led to the formation of the pyrazoles 5–7a-q. Small amounts of 4-methylamino-2-pentenones 10a-q, amides 11a-q and pyrazoles 12a-q were also obtained in these reactions. The unexpected formation of pyrazoles 15d,h,q was detected

  4-（甲基氨基）-3-戊烯-2-酮与重氮酮的反应以良好的收率得到了α-酰基亚氨基酮1-3。α-酰基亚氨基酮4的制备是通过用苯甲酰氯处理4-（叔丁基氨基）-3-戊烯-2-酮，然后与甲胺进行氨基转移反应来进行的。反应在五种不同的溶剂中进行，并进行了气相色谱/质谱分析，目的是获得取代的吡唑并确定哪些羰基化合物将优先受到亲核试剂的攻击。化合物1-4与肼试剂的反应导致形成吡唑5-7a-q。在这些反应中也获得了少量的4-甲基氨基-2-戊烯酮10a-q，酰胺11a-q和吡唑12a-q。当在α-酰基氨基酮4与肼试剂的反应中使用甲醇和N，N-二甲基甲酰胺作为溶剂时，检测到吡唑15d，h，q的意外形成。
• SODIUM CHANNEL INHIBITORS
  申请人：Fulp Alan Bradley

  公开号：US20090023740A1

  公开（公告）日：2009-01-22

  Compounds, compositions and methods are provided which are useful in the treatment of diseases through the inhibition of sodium ion flux through voltage-gated sodium channels. More particularly, the invention provides substituted sulfonamides, compositions comprising these compounds, as well as methods of using these compounds or compositions in the treatment of central or peripheral nervous system disorders, particularly pain and chronic pain by blocking sodium channels associated with the onset or recurrence of the indicated conditions. The compounds, compositions and methods of the present invention are of particular use for treating neuropathic or inflammatory pain by the inhibition of ion flux through a voltage-gated sodium channel.

  提供了在通过抑制电压门控钠通道中的钠离子通量来治疗疾病方面有用的化合物、组合物和方法。更具体地，本发明提供了取代磺胺基的化合物、包含这些化合物的组合物，以及使用这些化合物或组合物治疗中枢或外周神经系统疾病的方法，特别是通过阻断与所示疾病的发作或复发相关的钠通道来治疗疼痛和慢性疼痛。本发明的化合物、组合物和方法特别适用于通过抑制电压门控钠通道中的离子通量来治疗神经病理性或炎症性疼痛。
• NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS
  申请人：Cianci Christopher W.

  公开号：US20120245176A1

  公开（公告）日：2012-09-27

  A compound of Formula I is set forth, including pharmaceutically acceptable salts thereof: wherein Het is a 5 or 6-membered heterocycle with —N, —O, or —S adjacent to the —Ar substituent or adjacent to the point of attachment for the —Ar substituent; Ar is aryl or heteroaryl; R is —CH 3 , —CH 2 F, —CHF 2 or —CH═CH 2 ; V is —H, —CH 3 or ═O; W is —NO 2 , —Cl, —Br, —CH 2 OH, or —CN; X is —Cl, —Br, —F, —CH 3 , —OCH 3 , or —CN; Y is —CH or —N; and Z is —CH or —N. This compound is useful in compositions for the prevention and treatment of influenza virus.

  本发明涉及一种I式化合物，包括其药学上可接受的盐：其中，Het是一种5或6元杂环，其中- N，-O或-S与-Ar取代基相邻或与-Ar取代基的连接点相邻；Ar是芳基或杂芳基；R是-CH3，-CH2F，-CHF2或-CH═CH2；V是-H，-CH3或═O；W是-NO2，-Cl，-Br，-CH2OH或-CN；X是-Cl，-Br，-F，-CH3，-OCH3或-CN；Y是-CH或-N；以及Z是-CH或-N。该化合物在预防和治疗流感病毒的组合物中有用。
• Inhibitors of Ion Channels
  申请人：Marron Brian Edward

  公开号：US20130072471A1

  公开（公告）日：2013-03-21

  Compounds, compositions and methods are provided which are useful in the treatment of diseases through the inhibition of sodium ion flux through voltage-gated sodium channels. More particularly, the invention provides substituted aryl sulfonamides, compositions comprising these compounds, as well as methods of using these compounds or compositions in the treatment of central or peripheral nervous system disorders, particularly pain and chronic pain by blocking sodium channels associated with the onset or recurrence of the indicated conditions. The compounds, compositions and methods of the present invention are of particular use for treating neuropathic or inflammatory pain by the inhibition of ion flux through a voltage-gated sodium channel.

  本发明提供了在通过抑制电压门控钠通道中的钠离子流来治疗疾病方面有用的化合物、组合物和方法。更具体地，本发明提供了取代芳基磺酰胺、包含这些化合物的组合物，以及使用这些化合物或组合物治疗中枢或外周神经系统疾病，特别是疼痛和慢性疼痛的方法，通过阻断与所示条件的发生或复发相关的钠通道来实现。本发明的化合物、组合物和方法特别适用于通过抑制电压门控钠通道中的离子流来治疗神经病性或炎症性疼痛。
• INHIBITORS OF ION CHANNELS
  申请人：Marron Brian Edward

  公开号：US20090143358A1

  公开（公告）日：2009-06-04

  Compounds, compositions and methods are provided which are useful in the treatment of diseases through the inhibition of sodium ion flux through voltage-gated sodium channels. More particularly, the invention provides substituted aryl sulfonamides, compositions comprising these compounds, as well as methods of using these compounds or compositions in the treatment of central or peripheral nervous system disorders, particularly pain and chronic pain by blocking sodium channels associated with the onset or recurrence of the indicated conditions. The compounds, compositions and methods of the present invention are of particular use for treating neuropathic or inflammatory pain by the inhibition of ion flux through a voltage-gated sodium channel.

  本发明提供了化合物、组合物和方法，通过抑制电压门控钠通道中的钠离子流来治疗疾病。更具体地，本发明提供了取代芳基磺酰胺、包含这些化合物的组合物，以及使用这些化合物或组合物治疗中枢或外周神经系统疾病，特别是疼痛和慢性疼痛的方法，通过阻止与所示疾病的发生或复发有关的钠通道。本发明的化合物、组合物和方法特别适用于通过抑制电压门控钠通道中的离子流来治疗神经病理性或炎症性疼痛。