diethyl 5,5''-(2,4,6-trimethyl-1,4-dihydropyridine-3,5-diyl)bis(4'-chloro-4-oxo-1,2,3,4-tetrahydro-[1,1'-biphenyl]-3-carboxylate) | 1447968-16-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: diethyl 5,5''-(2,4,6-trimethyl-1,4-dihydropyridine-3,5-diyl)bis(4'-chloro-4-oxo-1,2,3,4-tetrahydro-[1,1'-biphenyl]-3-carboxylate)
• 英文别名: diethyl 5,5"-(2,4,6-trimethyl-1,4-dihydropyridine-3,5-diyl)bis(4'-chloro-4-oxo-1,2,3,4-tetrahydro-[1,1'-biphenyl]-3-carboxylate)
• CAS: 1447968-16-2
• 化学式: C₃₈H₃₉Cl₂NO₆
• 分子量: 676.637
• InChiKey: GYTQLGVCBQFRLO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.81
• 重原子数：
  47.0
• 可旋转键数：
  8.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  98.77
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  diethyl 5,5''-(2,4,6-trimethyl-1,4-dihydropyridine-3,5-diyl)bis(4'-chloro-4-oxo-1,2,3,4-tetrahydro-[1,1'-biphenyl]-3-carboxylate) 在 sodium hydroxide 、 盐酸 作用下， 以 水 为溶剂， 反应 4.0h， 以50%的产率得到5,5''-(2,4,6-trimethyl-1,4-dihydropyridine-3,5-diyl)bis(4'-chloro-2,3-dihydro-[1,1'-biphenyl]-4(1H)-one)
  参考文献：
  名称：

  Synthesis, antibacterial and antifungal evaluation of novel 1,4-dihydropyridine derivatives

  摘要：

  3,5-Diacetyl-1,4-dihydro-2,4,6-trimethylpyridine (1) has been condensed with aromatic aldehydes to give the corresponding cinnamoyl derivatives IIa-e. the behavior of IIc, d towards thiourea, hydroxylamine hydrochloride, hydrazine hydrate and other bifunctional reagents has been investigated. The newly synthesized compounds were screened for their antimicrobial activity against Gram-positive bacteria, Gram-negative bacteria and as antifungal reagent. Among all the tested compounds, it was found that compounds IIIa and Vila, b revealed better activity against the Gram-positive rather than the Gram-negative bacteria. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2012.12.069
• 作为产物：
  描述：

  3,5-丁二酮-2,4,6-三甲基-1,4-羟基吡啶 在 哌啶 、 potassium hydroxide 作用下， 以 正丁醇 为溶剂， 反应 8.0h， 生成 diethyl 5,5''-(2,4,6-trimethyl-1,4-dihydropyridine-3,5-diyl)bis(4'-chloro-4-oxo-1,2,3,4-tetrahydro-[1,1'-biphenyl]-3-carboxylate)
  参考文献：
  名称：

  Synthesis, antibacterial and antifungal evaluation of novel 1,4-dihydropyridine derivatives

  摘要：

  3,5-Diacetyl-1,4-dihydro-2,4,6-trimethylpyridine (1) has been condensed with aromatic aldehydes to give the corresponding cinnamoyl derivatives IIa-e. the behavior of IIc, d towards thiourea, hydroxylamine hydrochloride, hydrazine hydrate and other bifunctional reagents has been investigated. The newly synthesized compounds were screened for their antimicrobial activity against Gram-positive bacteria, Gram-negative bacteria and as antifungal reagent. Among all the tested compounds, it was found that compounds IIIa and Vila, b revealed better activity against the Gram-positive rather than the Gram-negative bacteria. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2012.12.069