4-[(Dimethylamino)methylidene]-2,6-dimethylheptane-3,5-dione | 85302-03-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-[(Dimethylamino)methylidene]-2,6-dimethylheptane-3,5-dione
• 英文别名: 4-(dimethylaminomethylidene)-2,6-dimethylheptane-3,5-dione
• CAS: 85302-03-0
• 化学式: C₁₂H₂₁NO₂
• 分子量: 211.304
• InChiKey: VGPZHRPYGLYJLA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  37.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-[(Dimethylamino)methylidene]-2,6-dimethylheptane-3,5-dione 在 硫酸 作用下， 以 乙醇 为溶剂， 反应 26.0h， 生成 5-Isobutyryl-6-isopropyl-2-oxo-1,2-dihydro-pyridine-3-carboxylic acid amide
  参考文献：
  名称：

  Mosti, Luisa; Schenone, Pietro; Menozzi, Giulia, Journal of Heterocyclic Chemistry, 1985, vol. 22, p. 1503 - 1509

  摘要：

  DOI：
• 作为产物：
  描述：

  2,6-二甲基-3,5-庚二酮 、 N,N-二甲基甲酰胺二甲基缩醛 反应 6.0h， 以78%的产率得到4-[(Dimethylamino)methylidene]-2,6-dimethylheptane-3,5-dione
  参考文献：
  名称：

  Schenone, Pietro; Mosti, Luisa; Menozzi, Giulia, Journal of Heterocyclic Chemistry, 1982, vol. 19, p. 1355 - 1361

  摘要：

  DOI：

文献信息

• Reaction of 2-dimethylaminomethylene-1,3-diones with dinucleophiles. III. Synthesis of 5-acylpyrimidines and 7,8-dihydroquinazolin-5(6<i>H</i> )-ones
  作者：Luisa Mosti、Giulia Menozzi、Pietro Schenone

  DOI：10.1002/jhet.5570200328

  日期：1983.5

  The reaction of open-chain and cyclohexane sym-2-dimethylaminomethylene-1,3-diones with amidines and guanidine in refluxing ethanol gave, generally in good yields, a series of 5-acylpyrimidines and 7,8-dihydroquinazolin-5(6H)-ones, respectively. With formamidine (and in part acetamidine), 2-formylimino-1,3-diones were formed in general, as sole products or mixtures with the corresponding pyrimidines

  在回流的乙醇中，开环和环己烷对称的-2-二甲基氨基亚甲基-1,3-二酮与am和胍的反应通常以良好的收率得到一系列的5-酰基嘧啶和7,8-二氢喹唑啉-5（6 H）-一个。与甲am（和部分为乙am）一起，通常形成2-甲酰氨基-1,3-二酮，其为单独的产物或与相应的嘧啶或二氢喹唑啉酮的混合物。
• Menozzi, Giulia; Schenone, Pietro; Mosti, Luisa, Journal of Heterocyclic Chemistry, 1983, vol. 20, p. 645 - 648
  作者：Menozzi, Giulia、Schenone, Pietro、Mosti, Luisa

  DOI：——

  日期：——
• 3-Acetyl-5-acylpyridin-2(1H)-ones and 3-acetyl-7,8-dihydro-2,5(1H,6H)-quinolinediones: synthesis, cardiotonic activity and computational studies
  作者：Eleonora Lo Presti、Raffaella Boggia、Antonio Feltrin、Giulia Menozzi、Paola Dorigo、Luisa Mosti

  DOI：10.1016/s0014-827x(99)00053-1

  日期：1999.7

  A series of milrinone analogues, namely 6-substituted 3-acetyl-5-acylpyridin-2(1H)-ones 4a-c, e, f and 7-substituted or unsubstituted 3-acetyl-7,8-dihydro-2,5(1H,6H)-quinolinediones 4g-j, in which the cyano group was replaced by the acetyl function, was prepared. In a preliminary pharmacological investigation on spontaneously beating atria from reserpine-treated guinea-pigs, all new compounds did not induce any inotropic effect equivalent or higher than that of the milrinone chosen as the reference compound. In order to rationalise how the structure modifications influence the activity and the selectivity of the title compounds, a computational study has been performed. The important role of the substituents in position-3 and -6 on the pyridone nucleus has been highlighted. (C) 1999 Elsevier Science S.A. All rights reserved.
• SCHENONE, P.;MOSTI, L.;MENOZZI, G., J. HETEROCYCL. CHEM., 1982, 19, N 6, 1355-1361
  作者：SCHENONE, P.、MOSTI, L.、MENOZZI, G.

  DOI：——

  日期：——
• MENOZZI, G.;SCHENONE, P.;MOSTI, L., J. HETEROCYCL. CHEM., 1983, 20, N 3, 645-648
  作者：MENOZZI, G.、SCHENONE, P.、MOSTI, L.

  DOI：——

  日期：——