2,6-dimethyl-3,5-bis(methoxycarbonyl)-4-((4-dimethylamino)phenyl)-1,4-dihydropyridine | 21835-70-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2,6-dimethyl-3,5-bis(methoxycarbonyl)-4-((4-dimethylamino)phenyl)-1,4-dihydropyridine
• 英文别名: 2,6-dimethyl-3,5-dicarbomethoxy-4-(dimethylamino)-1,4-dihydropyridine；2,6-dimethyl-3,5-dicarbomethoxy-4-<4-(dimethylamino)phenyl>-1,4-dihydropyridine；dimethyl 1,4-dihydro-4-(4-dimethylamino)-2,6-dimethylpyridine-3,5-dicarboxylate；4-(4-dimethylamino-phenyl)-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester；4-(4-Dimethylamino-phenyl)-2,6-dimethyl-1,4-dihydro-pyridin-3,5-dicarbonsaeure-dimethylester；3,5-Dimethyl 4-[4-(dimethylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate；dimethyl 4-[4-(dimethylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
• CAS: 21835-70-1
• 化学式: C₁₉H₂₄N₂O₄
• mdl: MFCD01794305
• 分子量: 344.411
• InChiKey: ZICRODGSLHHXHP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  67.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-碘丁烷 、 2,6-dimethyl-3,5-bis(methoxycarbonyl)-4-((4-dimethylamino)phenyl)-1,4-dihydropyridine 在 甲醇 作用下， 生成 4-(3,5-bis-methoxycarbonyl-2,6-dimethyl-1,4-dihydro-[4]pyridyl)-N-butyl-N,N-dimethyl-anilinium; iodide
  参考文献：
  名称：

  Hantzsch's Pyridine Synthesis

  摘要：

  DOI：

  10.1021/ja01180a037
• 作为产物：
  描述：

  乙酰乙酸甲酯 、 对二甲氨基苯甲醛 在 barium(II) nitrate ammonium acetate 作用下， 反应 0.42h， 以93%的产率得到2,6-dimethyl-3,5-bis(methoxycarbonyl)-4-((4-dimethylamino)phenyl)-1,4-dihydropyridine
  参考文献：
  名称：

  硝酸钡在无溶剂条件下于室温下催化一锅合成1,4-二氢吡啶†

  摘要：

  硝酸钡是1,4-二氢吡啶的三组分一锅合成的有效催化剂。硝酸钡是一种安全的化学品，无需使用有机溶剂即可进行反应，使该过程变得环保。

  DOI：

  10.1002/jhet.5570450316

文献信息

• Synthesis and application of chitosan supported vanadium oxo in the synthesis of 1,4-dihydropyridines and 2,4,6-triarylpyridines <i>via</i> anomeric based oxidation
  作者：Maliheh Safaiee、Bahar Ebrahimghasri、Mohammad Ali Zolfigol、Saeed Baghery、Abbas Khoshnood、Diego A. Alonso

  DOI：10.1039/c8nj02062k

  日期：——

  area electron diffraction (SAED), X-ray photoelectron spectroscopy (XPS) and inductively coupled plasma mass spectrometry (ICP-MS). The synthesized catalyst has been successfully used as a reusable catalyst in the synthesis of dihydropyridines and triarylpyridines.

  壳聚糖作为一种生物聚合物，对与合适的金属离子络合具有很强的亲和力。因此，它在制备稳定的生物有机-无机杂化多相催化剂方面受到了越来越多的关注。本文中，制备了一种新型的壳聚糖基钒氧羰基（ChVO）催化剂，并通过傅立叶变换红外光谱（FT-IR），X射线衍射（XRD），热重量分析（TGA），衍生热重量分析等多种技术对其进行了全面表征。 （DTG），差热分析（​​DTA），扫描电子显微镜（SEM），能量色散X射线分析（EDX），高分辨率透射电子显微镜（HRTEM），选定区域电子衍射（SAED），X射线光电子光谱（XPS）和电感耦合等离子体质谱（ICP-MS）。
• Long acting formulation
  申请人：SYNTEX (U.S.A.) INC.

  公开号：EP0301133A2

  公开（公告）日：1989-02-01

  A long acting sustained release pharmaceutical composition for dihydropyridine calcium channel blockers wherein the calcium channel blocker and a pH-dependent binder are intimately admixed in essentially spherically shaped non-rugose particles of up to 1.2 mm in diameter.

  一种用于二氢吡啶类钙通道阻滞剂的长效缓释药物组合物，其中钙通道阻滞剂和一种 pH 值依赖性粘合剂紧密混合在直径不超过 1.2 毫米的球形非rugose 颗粒中。
• 1,4-Dihydropyridine antagonist activities at the calcium channel: a quantitative structure-activity relationship approach
  作者：Robert A. Coburn、Mark Wierzba、Mark J. Suto、Alan J. Solo、A. M. Triggle、David J. Triggle

  DOI：10.1021/jm00119a009

  日期：1988.11

  The effect of 46 1,4-dihydropyridine-type calcium channel antagonists on the tonic contractile response of longitudinal muscle strips of guinea pig ileum was determined. 2,6-Dimethyl-3,5-dicarbomethoxy-4-phenyl-1,4-dihydropyridine (13) and 13 ortho-, 15 meta-, and seven para-monosubstituted and 10 polysubstituted aromatic derivatives of 13 were studied. The pharmacological activities of the monosubstituted derivatives were best correlated by eq 10, log 1/C = 0.68 pi + 2.50 sigma m -0.47Lmeta -3.40B1para + 11.31, which had a correlation coefficient of 0.89. The full data set was best correlated by eq 11, log 1/C = 0.62 pi + 1.96 sigma m -0.44Lmeta -3.26B1para -1.51Lmeta' + 14.23, which had a correlation coefficient of 0.90. Equations of similar form but involving an ortho steric term were found to correlate the radioligand binding data for this class of compounds.
• Kaur, Prabhjot; Sharma, Heena; Rana, Rekha, Asian Journal of Chemistry, 2012, vol. 24, # 12, p. 5649 - 5651,3
  作者：Kaur, Prabhjot、Sharma, Heena、Rana, Rekha、Prasad, D. N.、Singh, Rajesh K.

  DOI：——

  日期：——
• US4940556A
  申请人：——

  公开号：US4940556A

  公开（公告）日：1990-07-10