3-(α-naphthyl)-5-methyl-1H-pyrazole | 171817-43-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 3-(α-naphthyl)-5-methyl-1H-pyrazole
• 英文别名: 5-methyl-3-naphthalen-1-yl-1H-pyrazole
• CAS: 171817-43-9
• 化学式: C₁₄H₁₂N₂
• 分子量: 208.263
• InChiKey: UJPVUTRYEPIDFE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  28.7
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (S)-N,N-dimethyl-1-[(R)-2-(diphenylphosphino)-ferrocenyl]ethylamine 、 3-(α-naphthyl)-5-methyl-1H-pyrazole 以 溶剂黄146 为溶剂， 以45%的产率得到1-((S)-1-[(R)-2-(diphenylphosphino)ferrocenyl]ethyl)-5-methyl-3-(1-naphthyl)-1H-pyrazole
  参考文献：
  名称：

  含吡唑的二茂铁基配体的合成和结构不对称催化

  摘要：

  A series of new chiral ferrocenyl chelating ligands containing a tertiary phosphine and a pyrazole moiety (3) have been obtained in moderate to good yields from the reaction of the corresponding phosphinoferrocenyl amine derivatives 1a-k with the 1H-pyrazoles 2a-w in acetic acid at temperatures between 70 and 90 degrees C. For unsymmetrically substituted pyrazoles a remarkable site selectivity is observed, leading in most cases to only one regioisomer. Six compounds have been characterized by X-ray diffraction and were found to display very similar conformational features.

  DOI：

  10.1021/om00011a069
• 作为产物：
  描述：

  1-(naphth-1-yl)buta-2,3-dien-1-one 在 盐酸肼 作用下， 以 乙醇 为溶剂， 以95%的产率得到3-(α-naphthyl)-5-methyl-1H-pyrazole
  参考文献：
  名称：

  由烯丙基酮单盐酸盐辅助合成功能化异恶唑和吡唑：（Z）-2-甲基-7H-苯并[b]吡唑并[5,1-d] [1,5]恶唑啉的首次合成

  摘要：

  提出了由肼和羟胺盐酸盐辅助的1,2-烯基酮直接合成取代的异恶唑和吡唑的方法。在此过程中，丙氧基苯基吡唑被转化为（Z）-2-甲基7H苯并[b]吡唑并[5,1-d] [1,5]恶唑啉，它们是重要的发光化合物。

  DOI：

  10.1002/ejoc.201900008

文献信息

• Modulators of peroxisome proliferator activated receptors (ppar)
  申请人：Gossett Stacy Lynn

  公开号：US20050075378A1

  公开（公告）日：2005-04-07

  The present invention is directed to a compound of formula I, and pharmaceutically acceptable salts, solvates, hydrates or stereoisomer thereof, which are useful in treating Syndrome X, Type II diabetes, hyperglycemia, hyperlipidemia, obesity, coagaulopathy, hypertension, arteriosclerosis, and other disorders related to Syndrome X as well as cardiovascular diseases.

  本发明涉及一种I式化合物，以及其药学上可接受的盐、溶剂、水合物或立体异构体，该化合物在治疗X综合征、2型糖尿病、高血糖、高脂血症、肥胖症、凝血障碍、高血压、动脉硬化以及与X综合征相关的其他疾病以及心血管疾病方面有用。
• Heterocyclic Compounds As Modulators Of Peroxisome Proliferator Activated Receptors, Useful For The Treatment And/Or Prevention Of Disorders Modulated By A Ppar
  申请人：Henry James Robert

  公开号：US20080207685A1

  公开（公告）日：2008-08-28

  The present invention is directed to a compound of formula (I), or a pharmaceutically acceptable salt, solvate, hydrate or stereoisomer thereof, which is useful in treating or preventing disorders mediated by a peroxisome proliferator activated receptor (PPAR) such as syndrome X, type II diabetes, hyperglycemia, hyperlipidemia, obesity, coagaulopathy, hypertension, arteriosclerosis, and other disorders related to syndrome X and cardiovascular diseases.

  本发明涉及一种式为(I)的化合物，或其药学上可接受的盐、溶剂合物、水合物或立体异构体，该化合物用于治疗或预防由过氧化物酶体增殖激活受体（PPAR）介导的疾病，如X综合征、2型糖尿病、高血糖、高脂血症、肥胖症、凝血障碍、高血压、动脉硬化以及其他与X综合征和心血管疾病相关的疾病。
• MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR)
  申请人：Gossett Lynn Stacy

  公开号：US20080167310A1

  公开（公告）日：2008-07-10

  The present invention is directed to a compound of formula I, and pharmaceutically acceptable salts, solvates, hydrates or stereoisomer thereof, which are useful in treating Syndrome X, Type II diabetes, hyperglycemia, hyperlipidemia, obesity, coagaulopathy, hypertension, arteriosclerosis, and other disorders related to Syndrome X as well as cardiovascular diseases.

  本发明涉及公式I的化合物及其药学上可接受的盐、溶剂化合物、水合物或立体异构体，其可用于治疗X综合症、II型糖尿病、高血糖、高血脂、肥胖症、凝血异常、高血压、动脉硬化以及与X综合症和心血管疾病有关的其他疾病。
• Rh(<scp>iii</scp>)-catalyzed [4 + 1] cyclization of aryl substituted pyrazoles with cyclopropanols <i>via</i> C–H activation
  作者：Wenxi Chen、Yan Mao、Min Wang、Fei Ling、Changchang Li、Zhangpei Chen、Jinzhong Yao

  DOI：10.1039/d2ob02001g

  日期：——

  rhodium-catalyzed formal [4 + 1]-cyclization reaction of aryl substituted pyrazoles with cyclopropanols via C–H bond activation/cyclization processes to selectively construct a series of carbonyl functionalized pyrazolo[5,1-a]isoindoles is described. The reaction features good functional group compatibility and a broad substrate scope with respect to both cyclization components with up to 84% yields. Mechanistic studies

  描述了芳基取代的吡唑与环丙醇通过C–H 键活化/环化过程在铑催化下形成 [4 + 1] -环化反应，选择性地构建一系列羰基官能化的吡唑并 [5,1- a ] 异吲哚。该反应具有良好的官能团相容性和广泛的底物范围，两种环化组分的收率高达 84%。机理研究表明，C-H 裂解可能是该转化中的决速步骤。
• Thermal heterocyclization of methyl aryl ketazines. 2. Reactions of the tautomeric enehydrazine form
  作者：Yu. V. Shurukhin、N. A. Klyuev、I. I. Grandberg

  DOI：10.1007/bf00522730

  日期：1986.7