2-amino-2-hepten-4-one | 33663-59-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-amino-2-hepten-4-one
• 英文别名: 2-amino-hept-2-en-4-one；2-Amino-hept-2-en-4-on；Heptan-2,4-dion-2-imin；2-Imino-heptan-4-on；2-Amino-2-hepten-4-on；2-Amino-hepten-2-on-4；2-Amino-2-hepten-4-one；2-aminohept-2-en-4-one
• CAS: 33663-59-1
• 化学式: C₇H₁₃NO
• mdl: MFCD19216209
• 分子量: 127.186
• InChiKey: BGONXEWVJNGIOF-UHFFFAOYSA-N

物化性质

• 沸点：
  210.8±23.0 °C(Predicted)
• 密度：
  0.919±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.571
• 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-2-hepten-4-one 在 水 、 双氧水 作用下， 生成 acetic acid-(3-butyl-[2]pyridylmethyl ester)
  参考文献：
  名称：

  Nakashima, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1958, vol. 78, p. 661,665

  摘要：

  DOI：
• 作为产物：
  描述：

  庚烷-2,4-二酮 在 乙酸铵 作用下， 以 甲苯 为溶剂， 反应 5.0h， 以90%的产率得到2-amino-2-hepten-4-one
  参考文献：
  名称：

  Singh, Baldev; Lesher, George Y., Journal of Heterocyclic Chemistry, 1990, vol. 27, # 7, p. 2085 - 2091

  摘要：

  DOI：

文献信息

• Certain 2-(1H)-pyridinones cardiotonic compositions containing same and
  申请人：Sterling Drug Inc.

  公开号：US04415580A1

  公开（公告）日：1983-11-15

  1-R"-3-Q-4-R'-5-R-1,6-naphthyridin-2(1H)-ones (I) or salts thereof, where R is lower-alkyl, R' is hydrogen or methyl, R" is hydrogen or lower-alkyl, and Q is hydrogen, hydroxy, amino, cyano, carbamyl, carboxy or aminocarbamyl, are useful as cardiotonic agents (I, Q is hydrogen, hydroxy, amino, cyano or carbamyl) and/or intermediates therefor (I, Q is carboxy, aminocarbamyl, hydrogen, amino, cyano or carbamyl). Also shown are 3-Q"-4-R'-5-(RCO)-6-[2-(di-lower-alkylamino)ethenyl]-2(1H)-pyridinones (II) or salts thereof, where R and R' are as above and Q' is hydrogen or cyano, which are useful as cardiotonics (II, Q' is hydrogen) and/or intermediates (II, Q' is cyano or hydrogen). Processes for preparing the compounds of formulas I and II are shown.

  1-R"-3-Q-4-R'-5-R-1,6-萘啶并[2(1H)-酮]（I）或其盐，其中R为低碳基，R'为氢或甲基，R"为氢或低碳基，Q为氢、羟基、氨基、氰基、氨基甲酰基、羧基或氨基甲酰基，可作为心力衰竭药物（I，Q为氢、羟基、氨基、氰基或氨基甲酰基）和/或其中间体（I，Q为羧基、氨基甲酰基、氢、氨基、氰基或氨基甲酰基）。还显示了3-Q"-4-R'-5-(RCO)-6-[2-(二低碳基氨基)乙烯基]-2(1H)-吡啶酮（II）或其盐，其中R和R'如上所述，Q'为氢或氰基，可作为心力衰竭药物（II，Q'为氢）和/或其中间体（II，Q'为氰基或氢）。显示了制备I和II式化合物的过程。
• 5-Alkyl-1,6-naphthyridin-2(1H)-ones and cardiotonic use thereof
  申请人：Sterling Drug Inc.

  公开号：US04517190A1

  公开（公告）日：1985-05-14

  1-R"-3-Q-4-R'-5-R-1,6-naphthyridin-2(1H)-ones (I) or salts thereof, where R is lower-alkyl, R' is hydrogen or methyl, R" is hydrogen or lower-alkyl, and Q is hydrogen, hydroxy, amino, cyano, carbamyl, carboxy or aminocarbamyl, are useful as cardiotonic agents (I, Q is hydrogen, hydroxy, amino, cyano or carbamyl) and/or intermediates therefor (I, Q is carboxy, aminocarbamyl, hydrogen, amino, cyano or carbamyl). Also shown are 3-Q'-4-R'-5-(RCO)-6-[2-(di-lower-alkylamino)ethenyl]-2(1H)-pyridinones (II) or salts thereof, where R and R' are as above and Q' is hydrogen or cyano, which are useful as cardiotonics (II, Q' is hydrogen) and/or intermediates (II, Q' is cyano or hydrogen). Processes for preparing the compounds of formulas I and II are shown.

  1-R"-3-Q-4-R'-5-R-1,6-萘啶并[2(1H)-酮]（I）或其盐，其中R为低碳基，R'为氢或甲基，R"为氢或低碳基，Q为氢、羟基、氨基、氰基、氨基甲酰基、羧基或氨基甲酰基，作为强心剂（I，Q为氢、羟基、氨基、氰基或氨基甲酰基）和/或其中间体（I，Q为羧基、氨基甲酰基、氢、氨基、氰基或氨基甲酰基）有用。还显示了3-Q'-4-R'-5-(RCO)-6-[2-(二低碳基氨基)乙烯基]-2(1H)-吡啶酮（II）或其盐，其中R和R'如上所述，Q'为氢或氰基，它们作为强心剂（II，Q'为氢）和/或中间体（II，Q'为氰基或氢）有用。显示了制备公式I和II化合物的过程。
• 5-Alkanoyl-6-alkyl-2(1H)-pyridinones, their preparation and their
  申请人：Sterling Drug Inc.

  公开号：US04524149A1

  公开（公告）日：1985-06-18

  4-R.sub.2 -5-(Lower-alkanoyl)-6-(lower-alkyl)-2(1H)-pyridinones (I), useful as cardiotonics, where R.sub.2 is hydrogen or methyl, are prepared by reacting 2-(lower-alkanoyl)-1-(lower-alkyl)ethenamine (II) with lower-alkyl 2-propynoate or 2-butynoate respectively or by hydrolyzing 4-R.sub.2 -5-(lower-alkanoyl)-6-(lower-alkyl)-1,2-dihydro-2-oxonicotinonitrile (III), Q is CN) or corresponding 4-R.sub.2 -5-(lower-alkanoyl)-6-(lower-alkyl)-1,2-dihydro-2-oxonicotinamide to produce the corresponding 5-(lower-alkanoyl)-6-(lower-alkyl)-1,2-dihydro-2-oxonicotinic acid and decarboxylating said substituted nictotinic acid to produce I. Also disclosed and claimed are cardiotonic uses of 3-Q-4-R.sub.2 -5-(lower-alkanoyl)-6-(lower-alkyl)-2(1H)-pyridinones where Q is hydrogen or cyano and R.sub.2 is hydrogen or methyl (III). Also shown and claimed is methyl 4-acetyl-5-amino-2,4-hexadienoate or acid-addition salt thereof, useful as intermediate or cardiotonic.

  4-R.sub.2 -5-(低碳酰基)-6-(低烷基)-2(1H)-吡啶酮(I)是一种有益于心脏的强心剂，其中R.sub.2为氢或甲基，通过将2-(低碳酰基)-1-(低烷基)乙烯胺(II)分别与低烷基2-丙炔酸酯或2-丁炔酸酯反应或通过水解4-R.sub.2-5-(低碳酰基)-6-(低烷基)-1,2-二氢-2-氧基烟酰腈(III)(其中Q为CN)或相应的4-R.sub.2-5-(低碳酰基)-6-(低烷基)-1,2-二氢-2-氧基烟酰胺以产生相应的5-(低碳酰基)-6-(低烷基)-1,2-二氢-2-氧基烟酸，并脱羧化所述取代烟酸酸以产生I。还揭示和声明了3-Q-4-R.sub.2-5-(低碳酰基)-6-(低烷基)-2(1H)-吡啶酮的强心剂用途，其中Q为氢或氰，R.sub.2为氢或甲基(III)。还显示和声明了甲基4-乙酰基-5-氨基-2,4-己二烯酸酯或其酸盐加成物，可用作中间体或强心剂。
• 3-Substituted-5-alkyl-1,6-naphthyridin-2(1H)-ones, cardiotonic use and
  申请人：Sterling Drug Inc.

  公开号：US04559347A1

  公开（公告）日：1985-12-17

  1-R"-3-Q-4-R'-5-R-1,6-naphthyridin-2(1H)-ones (I) or salts thereof, where R is lower-alkyl, R' is hydrogen or methyl, R" is hydrogen or lower-alkyl, and Q is hydrogen, hydroxy, amino, cyano, carbamyl, carboxy or aminocarbamyl, are useful as cardiotonic agents (I, Q is hydrogen, hydroxy, amino, cyano or carbamyl) and/or intermediates therefor (I, Q is carboxy, aminocarbamyl, hydrogen, amino, cyano or carbamyl). Also shown are 3-Q'-4-R'-5-(RCO)-6-[2-di-lower-alkylamino)ethenyl]-2(1H)-pyridinones (II) or salts thereof, where R and R' are as above and Q' is hydrogen or cyano, which are useful as cardiotonics (II, Q' is hydrogen) and/or intermediates (II, Q' is cyano or hydrogen). Processes for preparing the compounds of formulas I and II are shown.

  1-R"-3-Q-4-R'-5-R-1,6-萘啶-2(1H)-酮(I)或其盐，其中R是低碳基，R'是氢或甲基，R"是氢或低碳基，Q是氢、羟基、氨基、氰基、氨基甲酰基、羧基或氨基甲酰基，可用作心力衰竭药物（I，Q为氢、羟基、氨基、氰基或氨基甲酰基）和/或其中间体（I，Q为羧基、氨基甲酰基、氢、氨基、氰基或氨基甲酰基）。还显示了3-Q'-4-R'-5-(RCO)-6-[2-二-低碳基氨基)乙烯基]-2(1H)-吡啶酮(II)或其盐，其中R和R'如上所述，Q'是氢或氰基，可用作心力衰竭药物（II，Q'为氢）和/或其中间体（II，Q'为氰基或氢）。显示了制备式I和式II化合物的方法。
• Kashima, Choji; Yamamoto, Yasuhiro, Journal of Heterocyclic Chemistry, 1980, vol. 17, p. 1141 - 1143
  作者：Kashima, Choji、Yamamoto, Yasuhiro

  DOI：——

  日期：——