2,6-二甲基-4-苯基吡啶-3,5-二羧酸 | 4446-60-0

• 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
• 中文名称: 2,6-二甲基-4-苯基吡啶-3,5-二羧酸
• 英文名称: 2,6-dimethyl-4-phenylpyridine-3,5-dicarboxylic acid
• 英文别名: 2,6-dimethyl-3,5-dicarboxy-4-phenylpyridine；2,6-dimethyl-4-phenyl-pyridine-3,5-dicarboxylic acid；H2mppdc；2,6-Dimethyl-4-phenyl-pyridin-3,5-dicarbonsaeure；2,6-Dimethyl-4-phenyl-pyridin-dicarbonsaeure-(3,5)；4-Phenyl-2,6-dimethylpyridin-3,5-dicarbonsaeure
• CAS: 4446-60-0
• 化学式: C₁₅H₁₃NO₄
• 分子量: 271.273
• InChiKey: SWCAUWOTAMMLMS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  87.5
• 氢给体数：
  2
• 氢受体数：
  5

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  2,6-二甲基-4-苯基吡啶-3,5-二羧酸 在 硫酸 、 sulfur tetrafluoride 、 氢氟酸 作用下， 反应 10.67h， 生成
  参考文献：
  名称：

  The interaction of 2,6-dimethyl-3,5-dicarboxy-4-phenylpyridine with SF4 in HF solution

  摘要：

  Reaction of 2,6-dimethyl-3,5-dicarboxy-4-phenylpyridine with sulphur tetrafluoride in HF solution leads to 1,3-dimethyl-4-trifluoromethyl-9,9'-difluoro-2-azafluorene as the main product accompanied by a minor yield of 2,6-dimethyl-3,5-bis(trifluoromethyl)-4-phenylpyridine.

  DOI：

  10.1016/0022-1139(93)02991-m
• 作为产物：
  描述：

  二乙基2,6-二甲基-4-苯基-3,5-吡啶二羧酸酯 在 氢氧化钾 作用下， 生成 2,6-二甲基-4-苯基吡啶-3,5-二羧酸
  参考文献：
  名称：

  Hantzsch, Chemische Berichte, 1884, vol. 17, p. 1518

  摘要：

  DOI：

文献信息

• Pyridine derivatives for treatment and prevention of liver damage, and their preparation
  申请人：YAMANOUCHI PHARMACEUTICAL CO. LTD.

  公开号：EP0285267A2

  公开（公告）日：1988-10-05

  Pyridine derivatives, their production, and compositions containing them for treatment and prevention of liver damage. These pyridine derivatives have the following structure :

  用于治疗和预防肝损伤的吡啶衍生物、吡啶衍生物的生产和含有吡啶衍生物的组合物。这些吡啶衍生物具有以下结构 ：
• Mills; Palmer; Tomkinson, Journal of the Chemical Society, 1924, vol. 125, p. 2369
  作者：Mills、Palmer、Tomkinson

  DOI：——

  日期：——
• Hantzsch, Chemische Berichte, 1884, vol. 17, p. 1518
  作者：Hantzsch

  DOI：——

  日期：——
• Pyridine annelation of o-methyl arylcarboxylic acids with vilsmeier reagents
  作者：Otto Meth-Cohn、Heinrich C. Taljaard

  DOI：10.1016/s0040-4039(00)85968-7

  日期：1983.1
• Ligand-directed metal(II) coordination polymers: Unusual disorder, and photoluminescence
  作者：Kun-Lin Huang

  DOI：10.1016/j.ica.2007.07.041

  日期：2008.1

  2,6-Dimethyl-4-phenylpyridine-3,5-dicarboxylic acid (H(2)mppdc, H2L) is firstly employed in coordination chemistry. Two metal-organic coordination polymers with a general formula of M2L2(4,4'-bpy)(x)(H2O)(4-2x) (M = Zn or Co, x = 1 or 2) are assembled from H2L, 4,4'-bipyridine, zinc and cobalt salt under hydrothermal conditions, and characterized by single-crystal X-ray diffraction analyses. Of the crystal structures of title compounds, L ligands, limited in the environment from 4,4'-bipyridine, array in head-to-head and head-to-tail modes which are corresponding to the 1D (1) and 3D (2) polymeric structures, respectively. Interesting disorders occur in the crystal lattice of compound 1. And compound 2 has a 3D 4(2) . 6(10) . 8(3) topology. Solid-state H2L and 1 have expected photoluminescence at room temperature. (c) 2007 Elsevier B.V. All rights reserved.