ferulic acid potassium salt

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: ferulic acid potassium salt
• 英文别名: potassium (E)-3-(4-hydroxy-3-metoxyphenyl)-2-propenate；(E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid potassium salt；Potassium ferulate；potassium;(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
• 化学式: C₁₀H₉O₄*K
• 分子量: 232.277
• InChiKey: MIYFPRPQXKJXCC-WGCWOXMQSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.83
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  69.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  四溴丁基硝酸盐 、 ferulic acid potassium salt 在 potassium iodide 作用下， 以 甲苯 、 正戊烷 为溶剂， 反应 16.0h， 生成 (E)-4-(nitrooxy)butyl 3-(4-hydroxy-3-methoxyphenyl)acrylate
  参考文献：
  名称：

  [EN] PROCESS FOR PREPARING NITROOXYALKYL SUBSTITUTED ESTERS OF CARBOXYLIC ACIDS, INTERMEDIATES USEFUL IN SAID PROCESS AND PREPARATION THEREOF
  [FR] PROCEDE DE PREPARATION D'ESTERS D'ACIDES CARBOXYLIQUES A SUBSTITUTION NITROOXYALKYLE, INTERMEDIAIRES UTILISES DANS LEDIT PROCEDE ET LEUR PREPARATION

  摘要：

  本发明涉及一种制备一般式(A)化合物的过程，如描述中所述，其中R是药物的基团，R1-R12是氢或烷基基团，m、n、o、q、r和s分别是0到6之间的整数，p为0或1，X为O、S、SO、SO2、NR13或PR13或芳基、杂环芳基基团，所述过程包括将一种一般式(B)的化合物与一种一般式(C)的化合物反应，其中R为上述定义，Z为氢或从Li+、Na+、K+、Ca++、Mg++、四烷基铵、四烷基磷酸盐中选择的阳离子，R1-R12和m、n、o、p、q、r、s如上所述，Y为适当的离去基团。

  公开号：

  WO2004020385A1
• 作为产物：
  描述：

  阿魏酸 在 氢氧化钾 作用下， 以 甲醇 为溶剂， 反应 3.0h， 生成 ferulic acid potassium salt
  参考文献：
  名称：

  [EN] PROCESS FOR PREPARING NITROOXYALKYL SUBSTITUTED ESTERS OF CARBOXYLIC ACIDS, INTERMEDIATES USEFUL IN SAID PROCESS AND PREPARATION THEREOF
  [FR] PROCEDE DE PREPARATION D'ESTERS D'ACIDES CARBOXYLIQUES A SUBSTITUTION NITROOXYALKYLE, INTERMEDIAIRES UTILISES DANS LEDIT PROCEDE ET LEUR PREPARATION

  摘要：

  本发明涉及一种制备一般式(A)化合物的过程，如描述中所述，其中R是药物的基团，R1-R12是氢或烷基基团，m、n、o、q、r和s分别是0到6之间的整数，p为0或1，X为O、S、SO、SO2、NR13或PR13或芳基、杂环芳基基团，所述过程包括将一种一般式(B)的化合物与一种一般式(C)的化合物反应，其中R为上述定义，Z为氢或从Li+、Na+、K+、Ca++、Mg++、四烷基铵、四烷基磷酸盐中选择的阳离子，R1-R12和m、n、o、p、q、r、s如上所述，Y为适当的离去基团。

  公开号：

  WO2004020385A1

文献信息

• Process for preparing nitrooxyalkyl substituted esters of carboxylic acids, intermediates useful in said process and preparation thereof
  申请人：Del Soldato Piero

  公开号：US20070112194A1

  公开（公告）日：2007-05-17

  The present invention refers to a process for preparing a compound of general formula (A), as reported in the description, wherein R is a radical of a drug and R1-R12 are hydrogen or alkyl groups, m, n, o, q, r and s are each independently an integer from 0 to 6, and p is 0 or 1, and X is O, S, SO, SO2, NR13 or PR13 or an aryl, heteroaryl group, said process comprising reacting a compound of formula (B) R—COOZ (B) wherein R is as defined above and Z is hydrogen or a cation selected from: Li+, Na+, K+, Ca++, Mg++, tetralkylammonium, tetralkylphosphonium, with a compound of formula (C), as reported in the description, wherein R1-R12 and m, n, o, p, q, r, s are as defined above and Y is a suitable leaving group.

  本发明涉及一种制备通式（A）化合物的方法，如描述中所述，其中R为药物的基团，R1-R12为氢或烷基，m、n、o、q、r和s各自独立地为0到6的整数，p为0或1，X为O、S、SO、SO2、NR13或PR13或芳基、杂环基，该方法包括将通式（B）R-COOZ（B）化合物与通式（C）所述的化合物反应，其中R和Z如上定义，Z为氢或选择自Li+、Na+、K+、Ca++、Mg++、四烷基铵、四烷基磷酸盐的阳离子，通式（C）中R1-R12和m、n、o、p、q、r、s如上定义，Y为适当的离去基。
• Process For Preparing Halogenoalkylnitrates
  申请人：Rivolta Romano

  公开号：US20080004463A1

  公开（公告）日：2008-01-03

  A process for preparing a compound of formula (I) X -(CH 2 ) n -ONO 2 (I) wherein: X is a halogen atom selected from Cl, Br, I; n is an integer from 3 to 6; said process comprising the slow addition of a compound of formula (II) X -(CH 2 ) n -OH  (II) wherein X and n are as defined above to a nitrating agent selected from the group consisting of concentrated nitric acid/concentrated sulfuric acid (sulfonitric mixture), nitric acid alone, NaNO 2 in trifluoroacetic acid, nitronium salts such as NO 2 BF 4 and an organic solvent selected from the group consisting of CH 2 Cl 2 , CHCl 3 , CCl 4 , perfluorohexane, perfluoroheptane. The invention refers also to solutions containing: a compound of general formula (I) and a solvent selected from the group consisting of CH 2 Cl 2 , CHCl 3 , CCl 4 , perfluorohexane, perfluoroheptane, characterized in that the compound of formula (I) is present in a concentration not higher than 20% by weight.

  一种制备式(I)X-(CH2)n-ONO2化合物的方法，其中：X是从Cl、Br、I中选择的卤素原子；n是从3到6的整数；所述方法包括缓慢加入式(II)X-( )n-OH化合物到硝化试剂中，所述硝化试剂选择自浓硝酸/浓硫酸（磺酸硝混合物）、单独的硝酸、三氟乙酸中的NaNO2、NO2BF4等硝酸盐和选择自 Cl2、CHCl3、CCl4、全氟己烷、全氟庚烷等有机溶剂。本发明还涉及含有通式(I)化合物和选择自 Cl2、 、 、全氟己烷、全氟庚烷等溶剂的溶液，其特征在于式(I)化合物的浓度不高于20%重量。
• Process for preparing halogenoalkylnitrates
  申请人：Nicox S.A.

  公开号：US07745496B2

  公开（公告）日：2010-06-29

  A process for preparing a compound of formula (I) X-(CH2)n-ONO2  (I) wherein: X is a halogen atom selected from Cl, Br, I; n is an integer from 3 to 6; said process comprising the slow addition of a compound of formula (II) X-(CH2)n-OH  (II) wherein X and n are as defined above to a nitrating agent selected from the group consisting of concentrated nitric acid/concentrated sulfuric acid (sulfonitric mixture), nitric acid alone, NaNO2 in trifluoroacetic acid, nitronium salts such as NO2BF4 and an organic solvent selected from the group consisting of CH2Cl2, CHCl3, CCl4, perfluorohexane, perfluoroheptane. The invention refers also to solutions containing: a compound of general formula (I) and a solvent selected from the group consisting of CH2Cl2, CHCl3, CCl4, perfluorohexane, perfluoroheptane, characterized in that the compound of formula (I) is present in a concentration not higher than 20% by weight.

  一种制备化合物(I)X-(CH2)n-ONO2的方法，其中：X为Cl、Br、I中选择的卤素原子；n为3至6的整数；所述方法包括将式为(II)X-( )n-OH的化合物缓慢加入选择自浓硝酸/浓硫酸（磺酸硝混合物）、单独的硝酸、三氟乙酸中的NaNO2、NO2BF4等硝化试剂以及选择自 Cl2、CHCl3、CCl4、全氟己烷、全氟庚烷的有机溶剂中。本发明还涉及含有通式(I)化合物和选择自 Cl2、 、 、全氟己烷、全氟庚烷的溶剂的溶液，其特征在于化合物(I)的浓度不超过20%重量。
• PROCESS FOR PREPARING NITROOXYALKYL SUBSTITUTED ESTERS OF CARBOXYLIC ACIDS, INTERMEDIATES USEFUL IN SAID PROCESS AND PREPARATION THEREOF
  申请人：DEL SOLDATO Piero

  公开号：US20100217028A1

  公开（公告）日：2010-08-26

  The present invention refers to a process for preparing a compound of general formula (A), as reported in the description, wherein R is a radical of a drug and R1-R12 are hydrogen or alkyl groups, m, n, o, q, r and s are each independently an integer from 0 to 6, and p is 0 or 1, and X is O, S, SO, SO2, NR13 or PR13 or an aryl, heteroaryl group, said process comprising reacting a compound of formula (B) R—COOZ (B) wherein R is as defined above and Z is hydrogen or a cation selected from: Li+, Na+, K+, Ca++, Mg++, tetralkylammonium, tetralkylphosphonium, with a compound of formula (C), as reported in the description, wherein R1-R12 and m, n, o, p, q, r, s are as defined above and Y is a suitable leaving group.

  本发明涉及一种制备一般式（A）化合物的过程，如描述所述，其中R是药物的基团，R1-R12是氢或烷基，m，n，o，q，r和s分别独立地为0至6的整数，p为0或1，X为O，S，SO，SO2，NR13或PR13或芳基，杂环基，所述过程包括反应一种化合物的公式（B）R-COOZ（B），其中R如上定义，Z为氢或选自：Li+，Na+，K+，Ca++，Mg++，四烷基铵，四烷基膦的阳离子，与一种公式（C）的化合物，如描述所述，其中R1-R12和m，n，o，p，q，r，s如上定义，Y是适当的离去基团。
• Ru(II)‐arene complexes with phenolic acid ligands: Synthesis, density function theoretical calculations, anti‐cancer studies, and cell death mechanisms
  作者：Chanchal Sonkar、Ananyaashree Behera、Pragti、Avinash Sonawane、Maxim F L. Kuznetsov、Suman Mukhopadhyay

  DOI：10.1002/aoc.7603

  日期：2024.9

  Six new complexes (1–6), [Ru(η6-p-cymene)(FA)Cl] (1), [Ru(η6-p-cymene)(PA)Cl] (2), [Ru(η6-p-cymene)(SA)Cl] (3), [Ru(η6-p-cymene)(FA)PPh3]Cl (4), [Ru(η6-p-cymene)(PA)PPh3]Cl (5), [Ru(η6-p-cymene)(SA)PPh3]Cl(6), [HFA = ferulic acid, HPA = p-coumaric acid, HSA = sinapinic acid], were synthesized and well characterized by various spectroscopic, analytical techniques and computational studies. Amongst these

  六个新配合物(1 – 6 )、 [Ru(η 6 - p -伞花烃)(FA)Cl] (1)、[Ru(η 6 - p -伞花烃)(PA)Cl] (2)、[Ru( η 6 -对伞花烃)(SA)Cl] (3), [Ru(η 6 -对伞花烃)(FA)PPh 3 ]Cl (4), [Ru(η 6 -对伞花烃)(PA)合成了PPh 3 ]Cl (5)、[Ru(η 6 -对伞花烃)(SA)PPh 3 ]Cl(6)、 [HFA = 阿魏酸、HPA =对香豆酸、HSA = 芥子酸]并通过各种光谱、分析技术和计算研究对其进行了良好的表征。在这六种复合物中，发现复合物4、5和6对黑色素瘤(A375)细胞系具有选择性细胞毒性，而对非癌细胞系(HEK 293 T)无细胞毒性。对可能的生物分子相互作用机制的进一步研究表明，所有复合物都显示出与DNA的强凹槽结合相互作用，然而，复合物3、4和3、6分别显示与BSA和HSA