acide α-methyl β-p-chloro-benzoyl lactique | 29242-28-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: acide α-methyl β-p-chloro-benzoyl lactique
• 英文别名: 4-(4-Chlorophenyl)-2-hydroxy-2-methyl-4-oxobutanoic acid
• CAS: 29242-28-2
• 化学式: C₁₁H₁₁ClO₄
• 分子量: 242.659
• InChiKey: ZTADFUJUDMPZHX-UHFFFAOYSA-N

物化性质

• 沸点：
  475.4±40.0 °C(Predicted)
• 密度：
  1.389±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  acide α-methyl β-p-chloro-benzoyl lactique 在 一水合肼 作用下， 以 正丁醇 为溶剂， 生成 methyl-4 (p-chloro phenyl)-6 pyridazone-3
  参考文献：
  名称：

  3-Aminopyridazine derivatives with atypical antidepressant, serotonergic and dopaminergic activities

  摘要：

  Minaprine [3-[(beta-morpholinoethyl)amino]-4-methyl-6-phenylpyridazine dihydrochloride] is active in most animal models of depression and exhibits in vivo a dual dopaminomimetic and serotoninomimetic activity profile. In an attempt to dissociate these two effects and to characterize the responsible structural requirements, a series of 47 diversely substituted analogues of minaprine were synthesized and tested for their potential antidepressant, serotonergic, and dopaminergic activities. The structure-activity relationships show that dopaminergic and serotonergic activities can be dissociated. Serotonergic activity appears to be correlated mainly with the substituent in the 4-position of the pyridazine ring whereas the dopaminergic activity appears to be dependent on the presence, or in the formation, of a para-hydroxylated aryl ring in the 6-position of the pyridazine ring.

  DOI：

  10.1021/jm00123a004
• 作为产物：
  描述：

  对氯苯乙酮 、 丙酮酸 在 氢氧化钾 作用下， 以 甲醇 、 水 为溶剂， 反应 96.0h， 生成 acide α-methyl β-p-chloro-benzoyl lactique
  参考文献：
  名称：

  3-Aminopyridazine derivatives with atypical antidepressant, serotonergic and dopaminergic activities

  摘要：

  Minaprine [3-[(beta-morpholinoethyl)amino]-4-methyl-6-phenylpyridazine dihydrochloride] is active in most animal models of depression and exhibits in vivo a dual dopaminomimetic and serotoninomimetic activity profile. In an attempt to dissociate these two effects and to characterize the responsible structural requirements, a series of 47 diversely substituted analogues of minaprine were synthesized and tested for their potential antidepressant, serotonergic, and dopaminergic activities. The structure-activity relationships show that dopaminergic and serotonergic activities can be dissociated. Serotonergic activity appears to be correlated mainly with the substituent in the 4-position of the pyridazine ring whereas the dopaminergic activity appears to be dependent on the presence, or in the formation, of a para-hydroxylated aryl ring in the 6-position of the pyridazine ring.

  DOI：

  10.1021/jm00123a004

文献信息

• Maghioros, G.; Schlewer, G.; Wermuth, C. G., Bulletin de la Societe Chimique de France, 1985, # 5, p. 865 - 870
  作者：Maghioros, G.、Schlewer, G.、Wermuth, C. G.

  DOI：——

  日期：——
• MAGHIOROS, G.;SCHLEWER, G.;WERMUTH, C. G., BULL. SOC. CHIM. FR., 1985, N 5, 865-870
  作者：MAGHIOROS, G.、SCHLEWER, G.、WERMUTH, C. G.

  DOI：——

  日期：——
• 3-Aminopyridazine derivatives with atypical antidepressant, serotonergic and dopaminergic activities
  作者：Camille Georges Wermuth、Gilbert Schlewer、Jean Jacques Bourguignon、Georges Maghioros、Marie Jeanne Bouchet、Claudine Moire、Jean Paul Kan、Paul Worms、Kathleen Biziere

  DOI：10.1021/jm00123a004

  日期：1989.3

  Minaprine [3-[(beta-morpholinoethyl)amino]-4-methyl-6-phenylpyridazine dihydrochloride] is active in most animal models of depression and exhibits in vivo a dual dopaminomimetic and serotoninomimetic activity profile. In an attempt to dissociate these two effects and to characterize the responsible structural requirements, a series of 47 diversely substituted analogues of minaprine were synthesized and tested for their potential antidepressant, serotonergic, and dopaminergic activities. The structure-activity relationships show that dopaminergic and serotonergic activities can be dissociated. Serotonergic activity appears to be correlated mainly with the substituent in the 4-position of the pyridazine ring whereas the dopaminergic activity appears to be dependent on the presence, or in the formation, of a para-hydroxylated aryl ring in the 6-position of the pyridazine ring.