2-amino-3-pentanone | 343925-95-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-amino-3-pentanone
• 英文别名: 2-amino-pentan-3-one；2-Amino-pentan-3-on；Aethyl-(α-amino-aethyl)-keton；α-Amino-diaethylketon；2-aminopentan-3-one
• CAS: 343925-95-1
• 化学式: C₅H₁₁NO
• 分子量: 101.148
• InChiKey: QFQPULHETHXBCL-UHFFFAOYSA-N

物化性质

• 沸点：
  144.7±23.0 °C(Predicted)
• 密度：
  0.901±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  7
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  43.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-amino-3-pentanone 、 草酰乙酸二乙酯 在 alkali 作用下， 生成 4-ethyl-5-methyl-pyrrole-2,3-dicarboxylic acid-3-ethyl ester
  参考文献：
  名称：

  Piloty; Wilke; Bloemer, Justus Liebigs Annalen der Chemie, 1915, vol. 407, p. 18

  摘要：

  DOI：
• 作为产物：
  描述：

  戊烷-2,3-二酮 2-肟 在 盐酸 、 tin(ll) chloride 作用下， 生成 2-amino-3-pentanone
  参考文献：
  名称：

  Jaenecke, Chemische Berichte, 1899, vol. 32, p. 1096

  摘要：

  DOI：

文献信息

• Studies on Isothiazoles. III. A Novel Ring Closure to Isothiazoles by the Reaction of α-Amino Ketones with Thionyl Chloride or Sulfur Monochloride
  作者：Takayuki Naito、Susumu Nakagawa、Jun Okumura、Kiyoshi Takahashi、Ken-ichi Kasai

  DOI：10.1246/bcsj.41.959

  日期：1968.4

  New compounds, 4-hydroxyisothiazoles, have been prepared by the reaction of α-amino ketones with thionyl chloride or sulfur monochloride, which is a novel procedure for cyclization to an isothiazole ring. Polar solvents, especially dimethylformamide (DMF), were preferable for this cyclization. The reaction hardly proceeded in a nonpolar solvent such as benzene, but was accelerated by an addition of

  通过α-氨基酮与亚硫酰氯或一氯化硫反应制备了新化合物4-羟基异噻唑，这是一种环化成异噻唑环的新方法。极性溶剂，尤其是二甲基甲酰胺 (DMF)，对于这种环化反应是优选的。该反应在苯等非极性溶剂中几乎不进行，但通过加入少量 DMF 可加速反应。
• Optimization of a series of 2,4-diaminopyridines as neuropeptide Y Y1 receptor antagonists with reduced hERG activity
  作者：Minoru Kameda、Kensuke Kobayashi、Hirokatsu Ito、Hiroshi Miyazoe、Toshiaki Tsujino、Chisato Nakama、Hiroshi Kawamoto、Makoto Ando、Sayaka Ito、Tomoki Suzuki、Tetsuya Kanno、Takeshi Tanaka、Yoshio Tahara、Takeshi Tani、Sachiko Tanaka、Shigeru Tokita、Nagaaki Sato

  DOI：10.1016/j.bmcl.2009.05.069

  日期：2009.8

  The synthesis and evaluation of a series of 2,4-diaminopyridine-based neuropeptide Y Y1 ( NPY Y1) receptor antagonists are described. Compound 1 was previously reported by our laboratory to be a potent and selective Y1 antagonist; however, 1 was also found to have potent hERG inhibitory activity. The main focus of this communication is structure-activity relationship development aimed at eliminating the hERG activity of 1. This resulted in the identification of compound 3d as a potent and selective NPY Y1 antagonist with reduced hERG liability. (C) 2009 Elsevier Ltd. All rights reserved.
• Synthesis and evaluation of substituted 4-alkoxy-2-aminopyridines as novel neuropeptide Y1 receptor antagonists
  作者：Nagaaki Sato、Takunobu Shibata、Makoto Jitsuoka、Toshiyuki Ohno、Toshiyuki Takahashi、Tomoko Hirohashi、Tetsuya Kanno、Hisashi Iwaasa、Akio Kanatani、Takehiro Fukami

  DOI：10.1016/j.bmcl.2004.01.049

  日期：2004.4

  A series of substituted 4-alkoxy-2-aminopyridines 2, which were formally derived from neuropeptide Y1 antagonist 1 by replacing the morpholino portion with alkoxy groups, were synthesized and evaluated as neuropeptide Y Y1 receptor antagonists. Primary structure-activity relationships and identification of potent 4-alkoxy derivatives are described. (C) 2004 Elsevier Ltd. All rights reserved.
• Piloty; Wilke, Chemische Berichte, 1912, vol. 45, p. 2587
  作者：Piloty、Wilke

  DOI：——

  日期：——
• JAWORSKI, T.;MIZERSKI, T.;MAZUR, K., POL. J. CHEM., 1981, 55, N 2, 321-325
  作者：JAWORSKI, T.、MIZERSKI, T.、MAZUR, K.

  DOI：——

  日期：——