3-丙基-1H-吲唑 | 61485-18-5

• 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-丙基-1H-吲唑
• 英文名称: 3-propyl-1H-indazole
• 英文别名: 3-propyl-2H-indazole
• CAS: 61485-18-5
• 化学式: C₁₀H₁₂N₂
• 分子量: 160.219
• InChiKey: UAVBHTJZZHATBB-UHFFFAOYSA-N

物化性质

• 熔点：
  39-40 °C
• 沸点：
  118-120 °C(Press: 0.1 Torr)
• 密度：
  1.109±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  28.7
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  3-{1-[(4-methylphenyl)sulfonyl]propyl}-1H-indazole 在 disodium hydrogenphosphate 、 sodium amalgam 、 乙醇 作用下， 反应 2.0h， 以77%的产率得到3-丙基-1H-吲唑
  参考文献：
  名称：

  3-（甲苯磺酰基烷基）吲唑的合成及其脱磺酰化反应 - 通过史无前例的 Friedel-Crafts 工艺获得 3-取代吲唑的新入口

  摘要：

  在对甲苯亚磺酸存在下，吲唑与醛反应以令人满意的产率得到相应的磺酰基吲唑。由于杂环的电子密度降低，报道的 Friedel-Crafts 过程在吲唑上相当不寻常。所得磺酰基吲唑可在还原条件下脱磺酰化，最终生成 3-烷基化吲唑。 (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)

  DOI：

  10.1002/ejoc.200900222

文献信息

• INDAZOLEPROPIONIC ACID AMIDE COMPOUND
  申请人：Yamaguchi Tetsuo

  公开号：US20120016117A1

  公开（公告）日：2012-01-19

  Disclosed is a compound which is useful in preventing and treating cardiac arrhythmia such as atrial fibrillation. A compound represented by formula (1) or a pharmaceutically acceptable salt of the same. In formula (1), ring X represents benzene or pyridine; R 1 represents an optionally substituted alkyl group; R 2 represents an optionally substituted aryl group, an optionally substituted heterocyclic group, an optionally substituted arylalkyl group or an optionally substituted heterocyclic group-substituted alkyl group; R 3 , R 4 , R 5 , R 6 , R 7 , R 8 and R 9 represent each hydrogen or an alkyl group, provided that R 3 and R 5 may be bonded to each other to form, together with the carbon atom adjacent thereto, a cycloalkyl group; and m represents 0 or 1.

  本申请揭示了一种化合物，用于预防和治疗心律失常，如心房纤颤。该化合物由式（1）表示，或者其药学上可接受的盐。在式（1）中，环X代表苯或吡啶；R1代表可选择地取代的烷基基团；R2代表可选择地取代的芳基基团，可选择地取代的杂环基团，可选择地取代的芳基烷基基团或可选择地取代的杂环基团取代的烷基基团；R3、R4、R5、R6、R7、R8和R9分别代表氢或烷基基团，但R3和R5可以结合在一起，与相邻的碳原子一起形成环烷基基团；m代表0或1。
• Switchable Synthesis of 3-Substituted 1<i>H</i>-Indazoles and 3,3-Disubstituted 3<i>H</i>-Indazole-3-phosphonates Tuned by Phosphoryl Groups
  作者：Guihua Chen、Minglin Hu、Yungui Peng

  DOI：10.1021/acs.joc.7b02857

  日期：2018.2.2

  3-alkyl/aryl-3H-indazole-3-phosphonates were synthesized efficiently through a 1,3-dipolar cycloaddition reaction between α-substituted α-diazomethylphosphonates and arynes under simple reaction conditions. The product distribution was controlled by the phosphoryl group, which acted both as a tuning group and a traceless group in the reaction.

  在简单的反应条件下，通过α-取代的α-重氮甲基膦酸酯和芳烃之间的1,3-偶极环加成反应，可以高效合成3-烷基/芳基-1 H-吲唑和3-烷基/芳基-3 H-吲唑-3-膦酸酯。 。产物分布由磷酰基控制，该磷酰基在反应中既充当调节基团又充当无痕基团。
• Compounds, compositions and methods
  申请人：Park Jong-Wan

  公开号：US20050187276A1

  公开（公告）日：2005-08-25

  The present invention provides methods and pharmaceutical compositions for inhibiting expressions of HIF and HIF regulated genes, inhibiting angiogenesis, inducing cell cycle arrest in tumor cells, and treating cell proliferating diseases or conditions.

  本发明提供了一种抑制HIF和HIF调节基因表达、抑制血管生成、诱导肿瘤细胞细胞周期停滞和治疗细胞增殖性疾病或情况的方法和制药组合物。
• PPAR active compounds
  申请人：Arnold James

  公开号：US20080096913A1

  公开（公告）日：2008-04-24

  Compounds are described that are active on PPARs, including pan-active compounds. Also described are methods for developing or identifying compounds having a desired selectivity profile.

  描述了对PPARs活性的化合物，包括全谱活性化合物。还描述了开发或鉴定具有所需选择性配置文件的化合物的方法。
• NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF
  申请人：FUJIWARA Hideyasu

  公开号：US20130116430A1

  公开（公告）日：2013-05-09

  An object of the present invention is to provide to a compound and a pharmaceutical composition, which have excellent Syk-inhibitory activity. The present invention provides a nicotinamide derivative represented by the following formula (I) (wherein R 1 represents a halogen atom; R 2 represents a C 1-12 alkyl group, a C 2-12 alkenyl group, a C 2-12 alkynyl group, a C 3-8 cycloalkyl group, an aryl group, an ar-C 1-6 alkyl group or a heterocyclic group, each optionally having at least one substituent; R 3 represents an aryl group or a heterocyclic group each optionally having at least one substituent; and R 4 and R 5 each independently represent a hydrogen atom; and R 2 and R 4 may form a cyclic amino group optionally having at least one substituent together with the nitrogen atom to which they bind) or a salt thereof, and a pharmaceutical composition for use in the treatment of a Syk-related disease which comprises the nicotinamide derivative or a salt thereof.

  本发明的目的是提供一种具有优异的Syk抑制活性的化合物和制药组合物。本发明提供了一种由以下式(I)表示的烟酰胺衍生物（其中R1表示卤素原子；R2表示C1-12烷基、C2-12烯基、C2-12炔基、C3-8环烷基、芳基、芳基-C1-6烷基或杂环基，每种均可选地具有至少一个取代基；R3表示芳基或杂环基，每种均可选地具有至少一个取代基；R4和R5各自独立地表示氢原子；且R2和R4可以与它们结合的氮原子一起形成具有至少一个取代基的环状氨基团）或其盐，并且用于治疗Syk相关疾病的制药组合物包括该烟酰胺衍生物或其盐。