sodium 3-methoxybenzoate | 17264-90-3

• 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: sodium 3-methoxybenzoate
• 英文别名: sodium m-methoxybenzoate；sodium;3-methoxybenzoate
• CAS: 17264-90-3
• 化学式: C₈H₇O₃*Na
• 分子量: 174.132
• InChiKey: VGJQQAPCRPODIU-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.94
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  49.4
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2918990090

反应信息

• 作为反应物：
  描述：

  sodium 3-methoxybenzoate 在 草酰溴 作用下， 以 苯 为溶剂， 反应 2.0h， 生成 3-甲氧基苯甲酰基溴化物
  参考文献：
  名称：

  Kevill, Dennis N.; Knauss, Donald C., Journal of the Chemical Society. Perkin transactions II, 1993, # 3, p. 307 - 312

  摘要：

  DOI：
• 作为产物：
  描述：

  间甲氧基苯甲醇 在 palladium on activated charcoal sodium hydroxide 作用下， 以 二乙二醇二甲醚 为溶剂， 以85%的产率得到sodium 3-methoxybenzoate
  参考文献：
  名称：

  Chiusoli, Gian Paolo; Giroldini, William; Salerno, Giuseppe, Gazzetta Chimica Italiana, 1980, vol. 110, # 7/8, p. 371 - 374

  摘要：

  DOI：
• 作为试剂：
  描述：

  1-(2,4-二羟基苯基)-2-甲氧基-1-乙酮 在 sodium 3-methoxybenzoate 作用下， 生成 7-acetoxy-3-methoxy-2-(3-methoxy-phenyl)-chromen-4-one
  参考文献：
  名称：

  981.螯合系统。第二部分

  摘要：

  DOI：

  10.1039/jr9520005027

文献信息

• Palladium-Catalyzed Cross-Coupling Reactions of Carboxylic Anhydrides with Organozinc Reagents
  作者：Donghui Wang、Zhaoguo Zhang

  DOI：10.1021/ol035801w

  日期：2003.11.1

  [reaction: see text] Negishi-type cross-coupling reaction was effected by employing organozincs and anhydrides or mixed anhydrides that formed in situ from sodium salts of the corresponding acids and ethyl chloroformate under the catalysis of palladium(0). A general method for preparing symmetrical/unsymmetrical ketones was developed.

  [反应：见正文] Negishi型交叉偶联反应是通过使用有机锌和酸酐或混合酸酐（由相应酸的钠盐和氯甲酸乙酯在钯（0）催化下原位形成）而进行的。开发了一种制备对称/不对称酮的通用方法。
• Bis(substituted benzoato) complexes of bis(η-cyclopentadienyl)titanium(IV). Synthesis and mass-, 1H-, 13C-NMR and IR-spectra
  作者：Y. Dang、H.J. Geise、R. Dommisse、E. Esmans、H.O. Desseyn

  DOI：10.1016/0022-328x(90)80063-6

  日期：1990.1

  The syntheses of 32 complexes of the type (η-C5H5)2Ti(OOCC6H4X)2 are reported together with their mass, 1H NMR, 13C NMR, mid- and far-IR spectra. The data are consistent with a model in which the TiOOC bond strength (weaker than that of TiCp and TiHal) is stabilized by electron-withdrawing substituents X on the phenyl rings. The electronic influence of X also extends into the cyclopentadienyl rings

  的类型的32种复合物的合成（η-C 5 H ^ 5）2的Ti（OOCC 6 H ^ 4 X）2与它们的质量，一起报告1 H NMR，13 C NMR，中期和远红外光谱。该数据与通过苯环上的吸电子取代基X稳定了TiOOC键强度（比TiCp和TiHal的强度弱）的模型一致。X的电子影响也延伸到环戊二烯基环中。
• Weak Coordinating Carboxylate Directed Rhodium(III)-Catalyzed C–H Activation: Switchable Decarboxylative Heck-Type and [4 + 1] Annulation Reactions with Maleimides
  作者：Mahadev Sharanappa Sherikar、Kandikere Ramaiah Prabhu

  DOI：10.1021/acs.orglett.9b01412

  日期：2019.6.21

  group assisted C–H activation with maleimides leading to novel and switchable decarboxylative Heck-type and [4 + 1] annulation products catalyzed by Rh(III) has been reported. In these reactions, solvents play a vital role in switching the selectivity. An aprotic solvent, THF, leads to the decarboxylative Heck-type product while the protic solvent, TFE, results in the [4 + 1] annulation product. The

  据报道，弱配位的羧酸酯导向基团可通过马来酰亚胺辅助C–H活化，从而导致新的和可转换的脱氧Heck型和Rh（III）催化的[4 +1]环化产物。在这些反应中，溶剂在切换选择性方面起着至关重要的作用。非质子溶剂THF导致脱羧的Heck型产物，而质子溶剂TFE导致[4 +1]环化产物。该方法显示出较高的官能团耐受性。
• Anti-leishmanial activity of heteroleptic organometallic Sb(v) compounds
  作者：Muhammad Irshad Ali、Muhammad Khawar Rauf、Amin Badshah、Ish Kumar、Craig M. Forsyth、Peter C. Junk、Lukasz Kedzierski、Philip C. Andrews

  DOI：10.1039/c3dt51382c

  日期：——

  In seeking new drugs for the treatment of the parasitic disease Leishmaniasis, an extensive range of organometallic antimony(V) dicarboxylates of the form [SbR3(O2CR′)2] have been synthesised, characterised and evaluated. The organometallic moieties (R) in the complexes vary in being Ph, tolyl (o, m or p), or benzyl. The carboxylates are predominantly substituted benzoates with some compounds incorporating acetato or cinnamato ligands. The crystal structures of [Sb(p-Tol)3(O2CC6H2-3,4,5-(OMe)3)2]·0.5PhMe and [SbPh3(m-CH3C6H4CH2CO2)2] were determined and shown to adopt a typical trigonal pyramidal geometry, being monomeric with a five coordinate Sb centre. In total, the biological activity of 26 Sb(V) compounds was assessed against the Leishmania major parasite, and also human fibroblast skin cells to give a measure of general toxicity. Of these, 11 compounds (predominantly substituted benzoates with m- or p-tolyl ligands) proved to be highly effective against the parasite amastigotes at concentrations of 0.5–3.5 μM, while being non-toxic towards the mammalian cells at levels below 25 μM, making them highly promising drug candidates.

  在为治疗寄生虫疾病利什曼病寻找新药物的过程中，合成、表征并评估了一系列具有[SbR3(O2CR′)2]形式的金属有机锑(V)二羧酸盐。这些配合物中的金属有机部分（R）包括苯基、甲基苯基（邻、间或对位）或苄基。羧酸盐主要为取代苯甲酸盐，部分化合物包含乙酸根或肉桂酸根配体。测定了[Sb(p-Tol)3(O2CC6H2-3,4,5-(OMe)3)2]·0.5PhMe和[SbPh3(m-CH3C6H4CH2CO2)2]的晶体结构，显示它们采用典型的三角锥几何构型，为单体结构，有五配位的锑中心。总共评估了26种锑(V)化合物的生物活性，针对利什曼原虫Leishmania major以及人类成纤维皮肤细胞，以衡量其普遍毒性。其中，11种化合物（主要是含间位或对位甲基苯基配体的取代苯甲酸盐）在0.5至3.5 μM浓度下对寄生虫的无鞭毛体显示出高度效果，并且在低于25 μM的浓度下对哺乳动物细胞无毒，使其成为极具前景的药物候选物。
• Derivatives of phenoxyalkylcarboxylic acids
  申请人：Societe de Recherches Industrielles S.O.R.I.

  公开号：US04146385A1

  公开（公告）日：1979-03-27

  The invention provides novel phenoxyalkylcarboxylic acids which are useful in therapy as metabolic regulators and in agriculture as selective herbicides.

  本发明提供了新型的苯氧基烷基羧酸，其在治疗中作为代谢调节剂和在农业中作为选择性除草剂中有用。