3-乙氧基-1氢-吲唑 | 88279-08-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 中文名称: 3-乙氧基-1氢-吲唑
• 英文名称: 3-ethoxy-1H-indazole
• CAS: 88279-08-7
• 化学式: C₉H₁₀N₂O
• 分子量: 162.191
• InChiKey: VGTSMARXFZTGCL-UHFFFAOYSA-N

物化性质

• 熔点：
  83 °C
• 沸点：
  321.3±15.0 °C(Predicted)
• 密度：
  1.196±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  37.9
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090

反应信息

• 作为产物：
  描述：

  苯甲亚胺酸乙酯 在 silver hexafluoroantimonate 、 dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer 、 四丁基溴化铵 、 copper diacetate 、 potassium hydroxide 作用下， 以 四氢呋喃 、 水 、 1,2-二氯乙烷 为溶剂， 110.0 ℃ 、101.33 kPa 条件下， 反应 44.0h， 生成 3-乙氧基-1氢-吲唑
  参考文献：
  名称：

  Rh^III/Cu^II-Cocatalyzed Synthesis of 1H-Indazoles through C–H Amidation and N–N Bond Formation

  摘要：

  Substituted 1H-indazoles can be formed from readily available arylimidates and organo azides by Rh-III-catalyzed C-H activation/C-N bond formation and Cu-catalyzed N-N bond formation. For the first time the N-H-imidates are demonstrated to be good directing groups in C-H activation, also capable of undergoing intramolecular N-N bond formation. The process is scalable and green, with O-2 as the terminal oxidant and N-2 and H2O formed as byproducts. Moreover, the products could be transformed to diverse important derivatives.

  DOI：

  10.1021/ja4033555

文献信息

• Phenylpiperazine derivatives with a combination of partial dopamine-D2 receptor agonism and serotonin reuptake inhibition
  申请人：Feenstra W. Roelof

  公开号：US20060122189A1

  公开（公告）日：2006-06-08

  The invention relates to a group of novel phenylpiperazine derivatives with a dual mode of action: serotonin reuptake inhibition and partial agonism on dopamine-D 2 receptors. The invention also relates to the use of a compound disclosed herein for the manufacture of a medicament giving a beneficial effect. The compounds have the general formula (1): wherein the symbols have the meanings given in the specification. and tautomers, stereoisomers and N-oxides thereof, as well as pharmacologically acceptable salts, hydrates and solvates of said compounds of formula (1) and its tautomers, stereoisomers and N-oxides.

  这项发明涉及一组具有双重作用的新型苯基哌嗪衍生物：对5- 羟色胺再摄取抑制和对多巴胺-D2受体的部分激动作用。该发明还涉及使用本文所披露的化合物制备药物以产生益处。这些化合物具有一般式（1）：其中符号的含义如规范中所述。以及该式化合物及其互变异构体、立体异构体和N-氧化物的药理学可接受的盐、水合物和溶剂化合物。
• Regioselective O-Alkylations of Indazolinone Using (Cyanomethylene)triphenylphosphorane
  作者：Amy Randall、Florine Duval

  DOI：10.1055/s-0029-1217954

  日期：2009.10

  Regioselective O-alkylation of indazolinones using (cyanomethylene)-triphenthylphosphorane (CMPP) as a Mitsunobu-type reagent is described with a variety of aliphatic alcohols. This method was also successfully applied to the N-alkylation of O-protected indazolinone. Selective N1 and N2 alkylations on indazolinone have previously been described; our methodology is therefore orthogonal to the previous precedent.

  报道了使用(氰甲叉基)三苯基膦(CMPP)作为 Mitsunobu 型试剂，对各种脂肪醇进行吲唑啉酮的选择性O-烷基化反应。该方法还成功应用于O-保护吲唑啉酮的N-烷基化。此前已有关于吲唑啉酮上N1和N2选择性烷基化的报道;因此，我们的方法与先前的方法是正交的。
• [EN] COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY<br/>[FR] COMPOSÉS INHIBANT L'ACTIVITÉ ENZYMATIQUE DE LA KINASE À SÉQUENCE RÉPÉTÉE RICHE EN LEUCINE
  申请人：MERCK SHARP & DOHME

  公开号：WO2014137719A1

  公开（公告）日：2014-09-12

  The present invention is directed to indazole compounds which are potent inhibitors of LRRK2 kinase and useful in the treatment or prevention of diseases in which the LRRK2 kinase is involved, such as Parkinson's Disease. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which LRRK-2 kinase is involved.

  本发明涉及一种对LRRK2激酶具有很强抑制作用的吲唑啉化合物，可用于治疗或预防LRRK2激酶参与的疾病，如帕金森病。该发明还涉及包含这些化合物的药物组合物，以及在预防或治疗LRRK2激酶参与的疾病中使用这些化合物和组合物。
• COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY
  申请人：MILLER Michael

  公开号：US20160009696A1

  公开（公告）日：2016-01-14

  The present invention is directed to indazole compounds which are potent inhibitors of LRRK2 kinase and useful in the treatment or prevention of diseases in which the LRRK2 kinase is involved, such as Parkinson's Disease. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which LRRK-2 kinase is involved.

  本发明涉及一种indazole化合物，它是LRRK2激酶的有效抑制剂，可用于治疗或预防LRRK2激酶参与的疾病，例如帕金森病。本发明还涉及包含这些化合物的药物组合物以及使用这些化合物和组合物在预防或治疗LRRK-2激酶参与的这些疾病中的应用。
• Ardakani, Manouchehr Azadi; Smalley, Robert K.; Smith, Richard H., Journal of the Chemical Society. Perkin transactions I, 1983, # 10, p. 2501 - 2506
  作者：Ardakani, Manouchehr Azadi、Smalley, Robert K.、Smith, Richard H.

  DOI：——

  日期：——