4-formyl-2-methoxyphenyl pyridine-3-carboxylate | 380431-06-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: 4-formyl-2-methoxyphenyl pyridine-3-carboxylate
• 英文别名: Nicotinic acid 4-formyl-2-methoxy-phenyl ester；(4-formyl-2-methoxyphenyl) pyridine-3-carboxylate
• CAS: 380431-06-1
• 化学式: C₁₄H₁₁NO₄
• mdl: MFCD03150673
• 分子量: 257.246
• InChiKey: NIEKGVVKLQOETF-UHFFFAOYSA-N

物化性质

• 沸点：
  486.1±40.0 °C(Predicted)
• 密度：
  1.275±0.06 g/cm3(Predicted)
• 溶解度：
  33.7 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.071
• 拓扑面积：
  65.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-氨基安替比林 、 4-formyl-2-methoxyphenyl pyridine-3-carboxylate 在 溶剂黄146 作用下， 以 甲醇 为溶剂， 反应 1.0h， 以81%的产率得到4-[(Z)-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)iminomethyl]-2-methoxyphenylpyridine-3-carboxylate
  参考文献：
  名称：

  Heterocyclic Derivatives of 4-Amino-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one

  摘要：

  A convenient and scalable preparative method for the synthesis of azomethines from 4-amino-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one and substituted benzaldehydes, as well as 1,2-oxazole and 1,2-thiazolecarbaldehyde was developed.

  DOI：

  10.1134/s1070363220080095
• 作为产物：
  描述：

  3-吡啶甲醛 、 香草醛 在 三乙烯二胺 、 N,N'-二甲基苯并咪唑鎓碘化物 、 copper(II) sulfate 作用下， 以 甲苯 为溶剂， 反应 1.0h， 以55%的产率得到4-formyl-2-methoxyphenyl pyridine-3-carboxylate
  参考文献：
  名称：

  香草酸二茂铁基酯的两步合成

  摘要：

  香兰素与酚基团的芳族醛和羰基基团的二茂铁硼酸的连续反应由各种N-杂环卡宾催化，得到相应的二茂铁基酯。在这些反应中，硫酸铜（II），肉桂醛和空气中的氧气起氧化剂的作用。测试所得的香草酸二茂铁基酯的细胞毒性。

  DOI：

  10.1134/s107036321703015x

文献信息

• Niacin compositions for reduction of amyloid beta peptide 42 (abeta 42) production and for treatment of alzheimer's disease (ad)
  申请人：Saxena Uday

  公开号：US20110097347A1

  公开（公告）日：2011-04-28

  The present invention discloses (1) phenolic ester hybrids of niacin with m-methoxy-p-hydroxy phenyl compounds like eugenol, vanillin, apocynin, ferulic acid, isoferulic acid and eugenol epoxide and (2) cocrystals of hybrids as above, particularly cocrystal of niacin-eugenol hybrid with cocrystal former like eugenol and oxalic acid (3) novel pharmaceutical compositions comprising a combination of niacin and one or more small molecule/potentiating agent like eugenol, curcumin, cinnamic acid, meclofenamic acid, and their use in the treatment of a disorder or a disease caused by excess production of amyloid beta peptide-42 (Aβ42), its deposition, accumulation, and plaque formation including Alzheimer's Disease, dementia and mild cognitive impairment as well as other neurodegenerative diseases such as Parkinson's Disease and ischemic stroke.

  本发明披露了(1)烟酸与m-甲氧基-p-羟基苯基化合物（如丁香酚、香草醛、阿波替宁、香豆酸、异香豆酸和丁香酚环氧化物）的酚酯杂化物，以及(2)上述杂化物的共晶体，特别是烟酸-丁香酚杂化物与丁香酚和草酸等共晶体形成剂的共晶体；(3)新型药物组合物，包括烟酸和一种或多种小分子/增效剂，如丁香酚、姜黄素、肉桂酸、美克洛酚酸，以及它们在治疗由淀粉样β肽42（Aβ42）过度产生、沉积、积累和斑块形成引起的疾病或紊乱，包括阿尔茨海默病、痴呆症和轻度认知障碍，以及其他神经退行性疾病，如帕金森病和缺血性中风的用途。
• Novel Niacin Compositions for Reduction of Amyloid Beta Peptide 42 (AB42) Production and for Treatment of Alzheimer's Disease
  申请人：Saxena Uday

  公开号：US20130338199A1

  公开（公告）日：2013-12-19

  The present invention discloses (1) phenolic ester hybrids of niacin with m-methoxy-p-hydroxy phenyl compounds like eugenol, vanillin, apocynin, ferulic acid, isoferulic acid and eugenol epoxide and (2) cocrystals of hybrids as above, particularly cocrystal of niacin-eugenol hybrid with cocrystal former like eugenol and oxalic acid (3) novel pharmaceutical compositions comprising a combination of niacin and one or more small molecule/potentiating agent like eugenol, curcumin, cinnamic acid, meclofenamic acid, and their use in the treatment of a disorder or a disease caused by excess production of amyloid beta peptide-42 (Aβ42), its deposition, accumulation, and plaque formation including Alzheimer's Disease, dementia and mild cognitive impairment as well as other neurodegenerative diseases such as Parkinson's Disease, Huntington's disease, multiple sclerosis, amytrophic lateral sclerosis and ischemic stroke.

  本发明公开了(1)烟酸与m-甲氧基-p-羟基苯基化合物如丁香酚、香草醛、狗毒素、阿魏酸、异阿魏酸和丁香酚环氧化物的酚酯杂化物，以及(2)上述杂化物的共晶体，特别是烟酸-丁香酚杂化物与丁香酚和草酸等共晶体形成剂的共晶体，以及(3)新型药物组合物，包括烟酸和一种或多种小分子/增效剂，如丁香酚、姜黄素、肉桂酸、美洛昔康酸，用于治疗由淀粉样β肽42(Aβ42)过度产生、沉积、蓄积和斑块形成引起的疾病或症状，包括阿尔茨海默病、痴呆和轻度认知障碍，以及其他神经退行性疾病，如帕金森病、亨廷顿病、多发性硬化症、肌萎缩侧索硬化和缺血性中风。
• Niacin compositions for reduction of amyloid beta peptide 42 (abeta 42) production and for treatment of Alzheimer's disease (AD)
  申请人：Saxena Uday

  公开号：US08541435B2

  公开（公告）日：2013-09-24

  The present invention discloses (1) phenolic ester hybrids of niacin with m-methoxy-p-hydroxy phenyl compounds like eugenol, vanillin, apocynin, ferulic acid, isoferulic acid and eugenol epoxide and (2) cocrystals of hybrids as above, particularly cocrystal of niacin-eugenol hybrid with cocrystal former like eugenol and oxalic acid (3) novel pharmaceutical compositions comprising a combination of niacin and one or more small molecule/potentiating agent like eugenol, curcumin, cinnamic acid, meclofenamic acid, and their use in the treatment of a disorder or a disease caused by excess production of amyloid beta peptide-42 (Aβ42), its deposition, accumulation, and plaque formation including Alzheimer's Disease, dementia and mild cognitive impairment as well as other neurodegenerative diseases such as Parkinson's Disease and ischemic stroke.

  本发明公开了(1)烟酰胺与m-甲氧基-p-羟基苯基化合物如丁香酚、香草醛、狗尿草素、阿魏酸、异阿魏酸和丁香酚环氧化物的酚酸酯混合物以及(2)上述混合物的共晶体，特别是烟酰胺-丁香酚混合物与丁香酚和草酸等共晶形成剂的共晶体，(3)新型制药组合物，包括烟酰胺和一种或多种小分子/增效剂，如丁香酚、姜黄素、肉桂酸、美洛昔康酸，用于治疗由淀粉样蛋白β-42(Aβ42)过量产生、沉积、积累和斑块形成引起的疾病或症状，包括阿尔茨海默病、痴呆症和轻度认知障碍以及其他神经退行性疾病，如帕金森病和缺血性中风。
• Pyridine Derivatives of Acridine and Quinoline
  作者：E. A. Akishina、D. V. Kazak、Е. А. Dikusar、R. S. Alexeev、N. A. Bumagin、V. I. Potkin

  DOI：10.1134/s1070363220120038

  日期：2020.12

  A convenient one-pot approach was proposed for the synthesis of new derivatives of 8,9,10,12tetrahydrobenzo[a]acridin-11(7H)-one and 10,12-dihydrobenzo[f]pyrimido[4,5-b]quinoline-9,11(7H,8H)-dione containing residues of nicotinic and isonicotinic acids covalently attached via ester groups in different positions of the aromatic core. Quaternary ammonium salts of the synthesized acridine derivatives

  提出了一种方便的一锅法合成8,9,10,12四氢苯并[a]吖啶-11(7H)-one和10,12-二氢苯并[f]嘧啶并[4,5-b]的新衍生物quinoline-9,11(7H,8H)-dione 含有烟酸和异烟酸的残基，这些残基通过芳香核心不同位置的酯基共价连接。获得了合成吖啶衍生物的季铵盐以及与钯 PdLCl2 的金属络合物。这些化合物含有许多药效团基团，因此将成为具有抗菌、抗病毒和抗肿瘤活性的潜在药物。
• US8541435B2
  申请人：——

  公开号：US8541435B2

  公开（公告）日：2013-09-24