2-acetyl-4-(N,N-dimethylamino)pyridine | 896139-39-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-acetyl-4-(N,N-dimethylamino)pyridine
• 英文别名: 1-(4-(dimethylamino)pyridin-2-yl)ethan-1-one；4-(N,N-dimethylamino)-2-acetyl-pyridine；1-(4-(Dimethylamino)pyridin-2-yl)ethanone；1-[4-(dimethylamino)pyridin-2-yl]ethanone
• CAS: 896139-39-2
• 化学式: C₉H₁₂N₂O
• mdl: MFCD18802860
• 分子量: 164.207
• InChiKey: PKSOQLDZMMXAHG-UHFFFAOYSA-N

物化性质

• 沸点：
  289.5±25.0 °C(Predicted)
• 密度：
  1.078±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  33.2
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P312,P302+P352,P304+P340,P330,P363,P501
• 危险性描述：
  H302,H312,H332

反应信息

• 作为反应物：
  描述：

  2-acetyl-4-(N,N-dimethylamino)pyridine 在 Saccharomyces cerevisiae 、 葡萄糖 作用下， 以 水 为溶剂， 反应 168.0h， 以40%的产率得到(S)-(-)-4-(N,N-dimethylamino)-2-(1-hydroxyethyl)pyridine
  参考文献：
  名称：

  Biocatalytic preparation of optically active 4-(N,N-dimethylamino)pyridines for application in chemical asymmetric catalysis

  摘要：

  4-Chloro-2-(1-hydroxybenzyl)pyridine and 4-chloro-2-(1-hydroxyalkyl)pyridines were obtained with moderate to excellent enantiomeric excesses and high isolated yields by bioreduction with Baker's yeast of the corresponding ketones. The resulting optically active alcohols were transformed into adequate DMAP derivatives, which have been applied in asymmetric catalytic processes as nucleophilic catalysts in the stereoselective chemical alkoxycarbonylation of 1-phenylethanol or as chiral ligands in the enantioselective addition of diethylzinc to benzaldehyde. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2006.03.018
• 作为产物：
  描述：

  4-氯-2-氰基吡啶 以 乙醚 、 水 为溶剂， 反应 24.0h， 生成 2-acetyl-4-(N,N-dimethylamino)pyridine
  参考文献：
  名称：

  Biocatalytic preparation of optically active 4-(N,N-dimethylamino)pyridines for application in chemical asymmetric catalysis

  摘要：

  4-Chloro-2-(1-hydroxybenzyl)pyridine and 4-chloro-2-(1-hydroxyalkyl)pyridines were obtained with moderate to excellent enantiomeric excesses and high isolated yields by bioreduction with Baker's yeast of the corresponding ketones. The resulting optically active alcohols were transformed into adequate DMAP derivatives, which have been applied in asymmetric catalytic processes as nucleophilic catalysts in the stereoselective chemical alkoxycarbonylation of 1-phenylethanol or as chiral ligands in the enantioselective addition of diethylzinc to benzaldehyde. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2006.03.018

文献信息

• Phosphorescent light-emitting material
  申请人：Nazeeruddin Mohammad Khaja

  公开号：US20110215276A1

  公开（公告）日：2011-09-08

  The present invention relates to light emitting materials including a novel Ir complex, where the Ir is provided with a primary ligand selected from phenyl pyridine ligands substituted with at least one Cl atom. Such light emitting materials have been found to have a significantly enhanced photoluminescence quantum yield over other Ir complexes with a phenyl pyridine ligand having no Cl atom, or even over those with a phenyl pyridine ligand having a halogen atom other than Cl, such as a Br or F atom, and as a result specifically improve the efficiency of a light emitting device. The present invention further relates to the use of such light emitting materials and an organic light emitting device including such light emitting materials.

  本发明涉及包括一种新型Ir配合物的发光材料，其中Ir具有从取代有至少一个Cl原子的苯基吡啶配体中选择的主要配体。这些发光材料已被发现相对于没有Cl原子的苯基吡啶配体的其他Ir配合物，甚至相对于具有除Cl原子以外的卤素原子（如Br或F原子）的苯基吡啶配体的其他Ir配合物具有显着增强的光致发光量子产率，从而特别提高了发光器件的效率。本发明还涉及使用这种发光材料和包括这种发光材料的有机发光器件。
• Benzothiazolyl and Benzoxazolyl Hydrazones Function as Zinc Metallochaperones to Reactivate Mutant p53
  作者：John A. Gilleran、Xin Yu、Alan J. Blayney、Anthony F. Bencivenga、Bing Na、David J. Augeri、Adam R. Blanden、S. David Kimball、Stewart N. Loh、Jacques Y. Roberge、Darren R. Carpizo

  DOI：10.1021/acs.jmedchem.0c01360

  日期：2021.2.25
• [EN] (THIO)SEMICARBAZONE DERIVATIVES AND THEIR USE FOR TREATING CANCER<br/>[FR] DÉRIVÉS DE (THIO)SÉMICARBAZONE ET LEUR UTILISATION POUR LE TRAITEMENT DU CANCER
  申请人：UNIV RUTGERS

  公开号：WO2016123242A1

  公开（公告）日：2016-08-04

  The invention provides compounds of formula I and II and salts thereof, wherein R1, R2, Y, R3, and R4 have any of the meanings described in the specification, as well as compositions comprising such compounds and salts, and methods for treating cancer using such compounds and salts.
• [EN] ZINC COMPLEXES OF HYDRAZONES AND (THIO)SEMICARBAZONES AND THEIR USE FOR THE TREATMENT OF CANCER<br/>[FR] COMPLEXES ZINC D'HYDRAZONES ET DE (THIO)SEMICARBAZONES ET LEUR UTILISATION POUR LE TRAITEMENT DU CANCER
  申请人：UNIV RUTGERS

  公开号：WO2016123250A1

  公开（公告）日：2016-08-04

  The invention provides complexes of Zn2+ of formulae (la) and (IIa) that are useful for treating cancer, as well as compositions and kits comprising such complexes.
• Biocatalytic preparation of optically active 4-(N,N-dimethylamino)pyridines for application in chemical asymmetric catalysis
  作者：Eduardo Busto、Vicente Gotor-Fernández、Vicente Gotor

  DOI：10.1016/j.tetasy.2006.03.018

  日期：2006.3

  4-Chloro-2-(1-hydroxybenzyl)pyridine and 4-chloro-2-(1-hydroxyalkyl)pyridines were obtained with moderate to excellent enantiomeric excesses and high isolated yields by bioreduction with Baker's yeast of the corresponding ketones. The resulting optically active alcohols were transformed into adequate DMAP derivatives, which have been applied in asymmetric catalytic processes as nucleophilic catalysts in the stereoselective chemical alkoxycarbonylation of 1-phenylethanol or as chiral ligands in the enantioselective addition of diethylzinc to benzaldehyde. (c) 2006 Elsevier Ltd. All rights reserved.