3-N,N-dimethylamino-2-ethylpropenal | 38062-54-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-N,N-dimethylamino-2-ethylpropenal
• 英文别名: 2-ethyl-3-dimethylaminoacroleine；2-ethyl-3-dimethylamino-propenal；2-ethyl-3-dimethylamino-acrylaldehyde；2-Aethyl-3ξ-dimethylamino-acrylaldehyd；2-Aethyl-3-dimethylamino-acrylaldehyd；α-Ethyl-β-dimethylamino-acrolein；2-(Dimethylaminomethylidene)butanal
• CAS: 38062-54-3
• 化学式: C₇H₁₃NO
• 分子量: 127.186
• InChiKey: YNCFFXYSMNYPND-UHFFFAOYSA-N

物化性质

• 沸点：
  128 °C(Press: 6 Torr)
• 密度：
  0.895±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-N,N-dimethylamino-2-ethylpropenal 在 sodium hydroxide 作用下， 生成 ethylmalonaldehyde
  参考文献：
  名称：

  Arnold; Sorm, Collection of Czechoslovak Chemical Communications, 1958, vol. 23, p. 452,455

  摘要：

  DOI：
• 作为产物：
  描述：

  N,N-二甲基甲酰胺 在 光气 、 1,2-二氯乙烷 作用下， 生成 3-N,N-dimethylamino-2-ethylpropenal
  参考文献：
  名称：

  Arnold; Sorm, Collection of Czechoslovak Chemical Communications, 1958, vol. 23, p. 452,455

  摘要：

  DOI：

文献信息

• Arnold; Zemlicka, Collection of Czechoslovak Chemical Communications, 1959, vol. 24, p. 2385,2390
  作者：Arnold、Zemlicka

  DOI：——

  日期：——
• Triisobutylaluminum assisted reductive rearrangement of 2-ethoxy-4-alkyl-2,3-dihydrofurans
  作者：Rita Menicagli、Corrado Malanga、Maurizio Guidi、Luciano Lardicci

  DOI：10.1016/s0040-4020(01)89943-9

  日期：1987.1
• High-Efficacy 5-HT_1A Agonists for Antidepressant Treatment:  A Renewed Opportunity
  作者：Jean Louis Maurel、Jean-Marie Autin、Philippe Funes、Adrian Newman-Tancredi、Francis Colpaert、Bernard Vacher

  DOI：10.1021/jm070714l

  日期：2007.10.1

  We report the discovery of novel 5-HT1A receptor agonists and describe the process that led to the antidepressant candidate 9 (F 15599). 9 has nanomolar affinity for 5-HT1A binding sites and is over 1000-fold selective with respect to the other 5-HT1 receptor subtypes, 5-HT2-7 receptor families, and also numerous GPCRs, transporters, ion channels, and enzymes. In a cellular model of signal transduction, 9 activates h5-HT1A receptors with an efficacy superior to that of the prototypical 5-HT1A agonist (+/-)-8-OH-DPAT and comparators undergoing clinical trials. After acute oral administration in rats, 9 totally reverses immobility in the forced swimming test and produces behaviors characteristic of 5-HT1A receptor activation. However, these effects occurred at widely separated doses, suggesting that 9 discriminates between distinct populations of 5-HT1A receptors. While the clinical relevance of these observations is still unknown, this opens new perspectives for the treatment of depressive disorders.
• Jutz,C. et al., Chemische Berichte, 1969, vol. 102, p. 2301 - 2318
  作者：Jutz,C. et al.

  DOI：——

  日期：——
• Chemotherapeutic nitroheterocycles. 1. Substituted 2-(5-nitro-2-furyl)pyrimidines
  作者：Rudolf. Albrecht、Klaus. Gutsche、Hans J. Kessler、Eberhard. Schroeder

  DOI：10.1021/jm00298a034

  日期：1970.7.1