1-(5-甲基-1H-吡咯-2-基)乙酮 | 6982-72-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-(5-甲基-1H-吡咯-2-基)乙酮
• 中文别名: 2-乙酰基-5-甲基吡咯
• 英文名称: 2-acetyl-5-methylpyrrole
• 英文别名: 2-Acetyl-5-methylpyrrol；1-(5-methyl-pyrrol-2-yl)-ethanone；1-(5-Methyl-pyrrol-2-yl)-aethanon；2-Acetyl-5-methyl-pyrrol；1-(5-Methyl-1h-pyrrol-2-yl)ethanone
• CAS: 6982-72-5
• 化学式: C₇H₉NO
• mdl: MFCD12923839
• 分子量: 123.155
• InChiKey: VODXUZDKSDHLHT-UHFFFAOYSA-N

物化性质

• 熔点：
  87-88 °C(Solv: ligroine (8032-32-4))
• 沸点：
  239.5±20.0 °C(Predicted)
• 密度：
  1.065±0.06 g/cm3(Predicted)
• LogP：
  1.337 (est)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.285
• 拓扑面积：
  32.9
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-(5-甲基-1H-吡咯-2-基)乙酮 在 sodium ethanolate 、 一水合肼 作用下， 生成 2-Methyl-5-ethylpyrrol
  参考文献：
  名称：

  Fischer; Sturm; Friedrich, Justus Liebigs Annalen der Chemie, 1928, vol. 461, p. 250,263

  摘要：

  DOI：
• 作为产物：
  描述：

  2,6-二甲基吡啶 N-氧化物 以 乙酸乙酯 为溶剂， 以27%的产率得到1-(5-甲基-1H-吡咯-2-基)乙酮
  参考文献：
  名称：

  Albini, Angelo; Fasani, Elisa; Lohse, Christian, Heterocycles, 1988, vol. 27, # 1, p. 113 - 124

  摘要：

  DOI：

文献信息

• BIPYRIDYL COMPOUND
  申请人：JAPAN SCIENCE AND TECHNOLOGY AGENCY

  公开号：US20170001960A1

  公开（公告）日：2017-01-05

  There are provided a compound capable of being a novel ligand allowing regioselective borylation to be performed in the aromatic borylation reaction, and a catalyst using the same compound. There is provided a bipyridyl compound represented by a general formula ( 1 ): (wherein A represents a single bond, a vinylene group or an ethynylene group; X represents an oxygen atom or a sulfur atom; n pieces of R 1 may be the same or different, and R 1 represents a hydrogen atom, a halogen atom, an optionally substituted hydrocarbon group, an optionally substituted alkoxy group, an optionally substituted aryloxy group, an optionally substituted amino group, a cyano group, a nitro group, or an alkoxycarbonyl group, or two adjacent R 1 may form a saturated or unsaturated ring structure optionally containing a hetero atom together with the carbon atoms bonded to the two R 1 ; R 2 represents a hydrogen atom, an optionally substituted hydrocarbon group, an optionally substituted alkoxy group, or an optionally substituted aryloxy group; and n represents a number of 1 to 4 ).

  提供了一种化合物，可以作为一种新型配体，在芳基硼化反应中实现区域选择性硼化，并提供了使用该化合物的催化剂。提供了一种由通式（1）表示的双吡啶化合物：（其中A代表单键、乙烯基或乙炔基；X代表氧原子或硫原子；n个R1可能相同或不同，R1代表氢原子、卤素原子、可选择取代的碳氢基团、可选择取代的烷氧基团、可选择取代的芳氧基团、可选择取代的氨基团、氰基、亚硝基或烷氧羰基，或者两个相邻的R1可能形成一个饱和或不饱和环结构，该环结构与两个R1键合的碳原子一起可能含有一个杂原子；R2代表氢原子、可选择取代的碳氢基团、可选择取代的烷氧基团或可选择取代的芳氧基团；n代表1到4的数字）。
• Intramolecular thermal oxidoreduction of N-(2-hydroxypropyl)-β-enaminoesters: synthesis of N-(acetonyl)-β-enaminoaldehydes and 2-acetylpyrroles
  作者：Alain Maujean、Catherine Grosdemange-Pale、Guy Marcy、Josselin Chuche

  DOI：10.1039/c39840001135

  日期：——

  Flow pyrolysis of the β-enaminoesters (1) provides the enaminoaldehydes (2), resulting from intramolecular oxidoreduction, and the acetylpyrroles (3); their relative yields depend on the temperature range.

  β-烯胺酸酯的流式热解（1）提供了分子内氧化还原产生的烯胺醛（2）和乙酰基吡咯（3）。它们的相对产量取决于温度范围。
• Methods and compositions of novel triazine compounds
  申请人：Timmer T. Richard

  公开号：US20070117795A1

  公开（公告）日：2007-05-24

  The present invention relates to methods and compositions comprising compounds that treat pathophysiological conditions arising from inflammatory responses. In particular, the present invention is directed to compounds that inhibit or block glycated protein produced induction of the signaling-associated inflammatory response in endothelial cells. The present invention relates to compounds that inhibit smooth muscle proliferation. In particular, the present invention is directed to compounds that inhibit smooth muscle cell proliferation by modulating HSPGs such as Perlecan. The present invention further relates to the use of compounds to treat vascular occlusive conditions characterized by smooth muscle proliferation such as restenosis and atherosclerosis.

  本发明涉及治疗由炎症反应引起的病理生理状况的方法和组合物。特别是，本发明涉及抑制或阻断糖基化蛋白质诱导内皮细胞信号相关炎症反应的化合物。本发明涉及抑制平滑肌增殖的化合物。特别是，本发明涉及通过调节HSPGs（如Perlecan）抑制平滑肌细胞增殖的化合物。本发明进一步涉及使用化合物治疗以平滑肌增殖为特征的血管闭塞性疾病，如再狭窄和动脉粥样硬化。
• PREHEATED FLY-ASH CATALYZED ALDOL CONDENSATION: EFFICIENT SYNTHESIS OF CHALCONES AND ANTIMICROBIAL ACTIVITIES OF SOME 3-THIENYL CHALCONES
  作者：RANGANATHAN ARULKUMARAN、SAMBANDHAMOORTHY VIJAYAKUMAR、S PAZHANIVEL SAKTHINATHAN、DAKSHNAMOORTHY KAMALAKKANNAN、KALIYAPERUMAL RANGANATHAN、RAMAMOORTHY SURESH、RAJASEKARAN SUNDARARAJAN、GANESAN VANANGAMUDI、GANESAMOORTHY THIRUNARAYANAN

  DOI：10.4067/s0717-97072013000200008

  日期：——
• Fly-ash:H2SO4 catalyzed solvent free efficient synthesis of some aryl chalcones under microwave irradiation
  作者：G. Thirunarayanan、P. Mayavel、K. Thirumurthy

  DOI：10.1016/j.saa.2012.01.054

  日期：2012.6

  Some 2E aryl chalcones have been synthesized using greener catalyst Fly-ash:H2SO4 assisted solvent free environmentally benign Crossed-Aldol reaction. The yields of chalcones are more than 90%. The synthesized chalcones are characterized by their physical constants and spectral data. (C) 2012 Elsevier B.V. All rights reserved.