2-Benzyl-3-pyridincarbonsaeure | 67839-70-7

• 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-Benzyl-3-pyridincarbonsaeure
• 英文别名: 2-benzyl-nicotinic acid；2-Benzylnicotinic acid；2-benzylpyridine-3-carboxylic acid
• CAS: 67839-70-7
• 化学式: C₁₃H₁₁NO₂
• 分子量: 213.236
• InChiKey: NZAKDNQAIWGNOG-UHFFFAOYSA-N

物化性质

• 熔点：
  188-189 °C
• 沸点：
  374.6±27.0 °C(Predicted)
• 密度：
  1?+-.0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  50.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-吡啶羧酸,2-苯甲酰-,甲基酯 在 硫酸,铜(2+)盐,碱性的 、 锌 乙酸乙酯 、 Brine 、 Sodium sulfate-III 作用下， 以 ammonium hydroxide 为溶剂， 反应 144.0h， 以to give 0.70 grams (33% yield) of 2-benzylnicotinic acid as a white solid的产率得到2-Benzyl-3-pyridincarbonsaeure
  参考文献：
  名称：

  8-phenyl-1,6-naphthyridin-5-ones

  摘要：

  公开的8-芳基-1,6-萘啶酮，化合物的化学式为I，其中：R.sub.1是氢，烷基，低碳烷基，环烷基，杂基烷基，杂环烷基，芳基，杂芳基，环烷基低碳烷基，杂环烷基低碳烷基，芳基烷基或杂芳基烷基; R.sub.2是芳基; 或其药学上可接受的盐或N-氧化物可用作抗炎剂，免疫抑制剂，抗移植排斥剂，抗移植物抗宿主病剂，抗过敏剂（例如哮喘，鼻炎和特应性皮炎），支气管扩张剂，抗自身免疫剂或镇痛剂。

  公开号：

  US05466697A1

文献信息

• [EN] COMPOSITION FOR TIN-SILVER ALLOY ELECTROPLATING COMPRISING A COMPLEXING AGENT<br/>[FR] COMPOSITION POUR L'ÉLECTROGALVANISATION D'ALLIAGE D'ÉTAIN ET D'ARGENT COMPRENANT UN AGENT COMPLEXANT
  申请人：BASF SE

  公开号：WO2019185468A1

  公开（公告）日：2019-10-03

  An aqueous composition comprising (a) metal ions comprising tin ions and silver ions and (b) at least one complexing agent of formula (C1) R1-X1-S-X21[D1-X22-]nS-X3-R2, (C2) R1-X1-S-X31-D2-[X32-S-]nX3-R2, (C3) R3-X1-S-X41-[D3-X42-]nS-X3-R4 wherein X1, X3 are independently selected from a linear or branched C1-C12 alkanediyl, which may be unsubstituted or substituted by OH; X21, X22 are independently selected from X1, which may be further substituted by -X5-COOR12, -X5-SO2-O-R12, a C2 to C6 polyoxyalkylene group of formula -(O-CH2- CHR11)z-OH, or a combination thereof, and -X1-NH-CO-X6-CO-NH-X1-; X31, X32 are independently selected from a chemical bond and X1; X41, X42 are independently selected from X1; X5 is a linear or branched Ci to C10 alkyl; X6 is selected from X1 and a divalent 5 or 6 membered aromatic group; R1, R2 are independently selected from a monovalent 5 or 6 membered aromatic N- heterocyclic group comprising one N atom or two N atoms which are separated by at least one C atom, and its derivatives received by N-alkylation with a C1-C6- alkyl group, which may be substituted by --COOR12 or -SO2-O-R12, and which aromatic N- heterocyclic group may optionally further comprise, under the proviso that X21 is substituted by at least one OH, one S atom; R3, R4 are independently selected from a monovalent 5 or 6 membered aliphatic N- heterocyclic group comprising one N atom and one O atom; D1 is independently selected from S, O and NR10-; D2 is (a) a divalent 5 or 6 membered aliphatic heterocyclic ring system comprising 1 or 2 S atoms, or (b) a 5 or 6 membered aromatic heterocyclic ring system comprising at least two N atoms and optionally one or two S atoms; D3 is independently selected from S and NR10-; n is an integer of from 0 to 5; z is an integer from 1 to 50; R10 is selected from H and a linear or branched C1-C12 alkyl; R11 is selected from H and a linear or branched C1 to C6 alkyl; and R12 is selected from R10 and a cation.

  一种水性组合物，包括（a）包括锡离子和银离子的金属离子和（b）至少一种具有以下结构的络合剂：（C1）R1-X1-S-X21[D1-X22-]nS-X3-R2，（C2）R1-X1-S-X31-D2-[X32-S-]nX3-R2，（C3）R3-X1-S-X41-[D3-X42-]nS-X3-R4，其中X1、X3可独立地选择自线性或支链的C1-C12脂肪二亚基，可以未取代或被OH取代；X21、X22可独立地选择自X1，可以进一步被-X5-COOR12，-X5-SO2-O-R12，具有式-(O-CH2-CHR11)z-OH的C2到C6聚氧烷基，或其组合物取代，以及-X1-NH-CO-X6-CO-NH-X1-；X31、X32可独立地选择自化学键和X1；X41、X42可独立地选择自X1；X5是线性或支链的Ci到C10烷基；X6选择自X1和双价的5或6元芳香族基；R1、R2可独立地选择自包括一个N原子或两个N原子的单价5或6元芳香N-杂环基，通过N-烷基化与C1-C6烷基基团取代的衍生物，可以被--COOR12或-SO2-O-R12取代，该芳香N-杂环基可以选择性地进一步包括，在X21至少被一个OH取代的条件下，一个S原子；R3、R4可独立地选择自包括一个N原子和一个O原子的单价5或6元脂肪N-杂环基；D1可独立地选择自S、O和NR10-；D2是（a）包括1或2个S原子的双价5或6元脂肪杂环环系统，或（b）包括至少两个N原子和可选地一个或两个S原子的5或6元芳香杂环环系统；D3可独立地选择自S和NR10-；n是从0到5的整数；z是从1到50的整数；R10选择自H和线性或支链的C1-C12烷基；R11选择自H和线性或支链的C1到C6烷基；R12选择自R10和阳离子。
• Selected Cgrp-Antagonists, Processes for Preparing Them and Their Use as Pharmaceutical Compositions
  申请人：Mueller Stephan Georg

  公开号：US20080280887A1

  公开（公告）日：2008-11-13

  The invention relates to CGRP-antagonists of general formula (I), wherein R 1 , R 2 , R 3 , R 4 and R 5 are defined in claim 1 , to the tautomers, isomers, diastereomers, enantiomers, hydrates, mixtures salts and salt hydrates thereof, in particular to 10 salts thereof, which are physiologically compatible with acids or inorganic or organic bases and to compounds of general formula (I), wherein one or several hydrogen atoms are substituted by deuterium. Drugs containing said compounds, the use thereof and a method for the production thereof are also disclosed.

  该发明涉及一般式(I)的CGRP拮抗剂，其中R1、R2、R3、R4和R5如权利要求书中所定义，以及其互变异构体、同分异构体、对映体、水合物、混合物、盐及盐水合物，特别是10种盐，这些盐在生理上与酸或无机或有机碱相容，以及一般式(I)的化合物，其中一个或多个氢原子被氘代替。还披露了含有这些化合物的药物、其用途以及生产方法。
• Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions
  申请人：Rudolf Klaus

  公开号：US20050282857A1

  公开（公告）日：2005-12-22

  The present invention relates to the CGRP antagonists of general formula wherein A, X and R 1 to R 3 are defined as in claim 1, the tautomers, the diastereomers, the enantiomers, the hydrates thereof, the mixtures thereof and the salts thereof and the hydrates of the salts, particularly the physiologically acceptable salts thereof with inorganic or organic acids, pharmaceutical compositions containing these compounds, the use thereof and processes for the preparation thereof.

  本发明涉及一般式中的CGRP拮抗剂，其中A、X和R1至R3如权利要求书中所定义，其互变异构体、对映异构体、立体异构体、水合物、混合物及其盐以及盐的水合物，特别是与无机或有机酸形成的生理上可接受的盐，含有这些化合物的药物组合物，其使用以及其制备方法。
• Vehicle for topical delivery of anti-inflammatory compounds
  申请人：Schwarz Joseph

  公开号：US20050158348A1

  公开（公告）日：2005-07-21

  A vehicle for topical application which contains a liquid eutectic mixture of hydrophobic compounds to improve solubility of pharmaceutically active component and enhance topical and transdermal delivery.

  一种用于局部应用的载体，其中包含液态共熔混合物的疏水化合物，以提高药用活性成分的溶解度，并增强局部和经皮递送。
• Ion-pair delivery system for cosmetic and pharmaceutical compositions
  申请人：——

  公开号：US20040228884A1

  公开（公告）日：2004-11-18

  This invention relates to a novel ion-pair delivery system useful for cosmetic, pharmaceutical, and topical nutraceutical applications in which the functional performance and consumer aesthetics of an electron donor composition and an electron acceptor composition, or a proton donor composition and a proton acceptor composition, are synergistically enhanced when such compositions are combined in an ion-pair mode. During ion-pair bonding process, the electron donor composition or the proton acceptor composition become positively charged and the electron acceptor composition or proton donor composition become negatively charged and thus bind together in an ionic manner. Such ion-pair compositions release their electronically bound components in their original state when such compositions are absorbed into skin and reach physiological pH conditions.

  本发明涉及一种新型离子对传递系统，可用于化妆品、药品和局部营养品应用中，其中当电子给体组成物和电子受体组成物，或质子给体组成物和质子受体组成物以离子对模式结合时，其功能性能和消费者美学效果得到协同增强。在离子对键合过程中，电子给体组成物或质子受体组成物变为带正电荷，而电子受体组成物或质子给体组成物则变为带负电荷，从而以离子方式结合在一起。这样的离子对组成物在吸收到皮肤并达到生理pH条件时，释放其电子结合的成分。