sodium 3-thiophenecarboxylate | 29018-46-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: sodium 3-thiophenecarboxylate
• 英文别名: sodium 3-thienylcarboxylate；Sodium;thiophene-3-carboxylate
• CAS: 29018-46-0
• 化学式: C₅H₃O₂S*Na
• 分子量: 150.133
• InChiKey: HZJCAUPKLDBZPN-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.88
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  68.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  sodium 3-thiophenecarboxylate 、 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid 3-(2-chloroethyl)ester-5-methyl ester 以 氩 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 生成 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid 3-[2-(3-thienylcarbonyloxy)ethyl]ester-5-methyl ester
  参考文献：
  名称：

  1,4-dihydropyridine derivatives, and pharmaceutical compositions

  摘要：

  2,6-二甲基-4-(2-或3-取代苯基)-1,4-二氢吡啶-3,5-二羧酸二酯具有扩张血管和降低血压的作用，在其酯基中，异环群通过酯键（羰氧基团）连接到烷基上的3-位。这些二酯用于治疗心脏疾病、脑血管疾病和高血压。

  公开号：

  US04757071A1

文献信息

• Grafting Derivatives of Mn₆ Single-Molecule Magnets with High Anisotropy Energy Barrier on Au(111) Surface
  作者：F. Moro、V. Corradini、M. Evangelisti、V. De Renzi、R. Biagi、U. del Pennino、C. J. Milios、L. F. Jones、E. K. Brechin

  DOI：10.1021/jp802195x

  日期：2008.8.1

  effective energy barrier for the relaxation of magnetization. Direct-current and alternating-current magnetic susceptibility measurements show that the functionalized complexes preserve the main magnetic properties of the corresponding not-functionalized Mn 6 clusters (i.e., total spin value and magnetic behavior as a function of temperature), though a reduction of the anisotropy barrier is observed in

  我们研究了属于Mn 6族（通式[Mn（III）6O2（R-sao）6（O2C-th）2L（4-6）]的两种新型功能化单分子磁体的磁性能），其中R = H（1）或Et（2），HO2C-th = 3-噻吩羧酸，L = EtOH，H2O和saoH2是水杨醛肟）并将它们接枝在Au（111）表面上。配合物1表现出自旋基态S = 4，这是两个反铁磁性Mn（III）3三角形之间铁磁耦合的结果，而配合物2的细微结构变化将主要的磁交换相互作用从反磁性转换为铁磁性，从而增强了将基态旋转到S = 12，因此是放松磁化的有效能垒。直流磁化率和交流磁化率测量结果表明，官能化的配合物保留了相应未官能化的Mn 6团簇的主要磁性能（即，总自旋值和磁行为随温度的变化），尽管降低了在配合物2中观察到各向异性势垒。对于两种配合物，-O2C-th官能化都可以通过液相沉积直接接枝到Au（111）表面上。X射线光电子能谱表明，接枝后
• Toward a Magnetostructural Correlation for a Family of Mn₆ SMMs
  作者：Constantinos J. Milios、Ross Inglis、Alina Vinslava、Rashmi Bagai、Wolfgang Wernsdorfer、Simon Parsons、Spyros P. Perlepes、George Christou、Euan K. Brechin

  DOI：10.1021/ja0736616

  日期：2007.10.1

  We have structurally and magnetically characterized a total of 12 complexes based on the SingleMolecule Magnet (SMM) [MnIII6O2(sao)(6)(O2CH)(2)(MeOH)(4)] (1) (where sao(2-) is the dianion of salicylaldoxime or 2-hydroxybenzaldeyhyde oxime) that display analogous structural cores but remarkably different magnetic behaviors. Via the use of derivatized oxime ligands and bulky carboxylates we show that it is possible to deliberately increase the value of the spin ground state of the complexes [Mn6O2(Me-sao)(6)(O2CCPh3)(2)(EtOH)(4)](2), [Mn6O2(Et-sao)(6)(O2CCMe3)(2)(EtOH)(5)] (3), [Mn6O2(Et-sao)(6)(O2CPh 2OPh)(2)(EtOH)(4)](4), [Mn6O2(Etsao)(6)(O2CPh (OPh)-O-4)(2)(EtOH)(4)(H2O)(2)](5), [Mn6O2(Me-sao)(6)(O2CPhBr)(2)(EtOH),I (6), [Mn6O2(Et-saO)(6)(O2CPh)(2()EtOH)(4)(H2O)(2)] (7), [Mn6O2(Et-sao)(6)tO(2)CPh(Me)(2)](2)(EtOH)(6)] (8), [Mn6O2(Et-sao)(6)(O2C11H15)(2)(EtOH)(6)] (9), [Mn6O2(Me-saO)(6)(O2C-th)(2)(EtOH)(4)(H2O)2] (10), [Mn6O2(Et-sao)(6)(O2CPhMe)(2)(EtOH)(4)(H2O)(2)] (11), and [Mn6O2(Et-sao)(6)(O2C12H17)(2)(EtOH)(4)(H2O)2] (12) (Et-saoH(2) = 2-hydroxybropiophenone oxime, Me-saoH(2) = 2-hydroxyethanone oxime, HO2CCPh3 = triphenylacetic acid, HO2CCMe3 = pivalic acid, HO2CPh 2OPh = 2-phenoxybenzoic acid, HO2CPh (OPh)-O-4 = 4-phenoxybenzoic acid, HO2CPhBr = 4-bromobenzoic acid, HO2CPh(Me)(2) = 3,5-dimethylbenzoic acid, HO2C11-H-15 = adamantane carboxylic acid, HO2C-th = 3-thiophene carboxylic acid, HO2CPhMe = 4-methylbenzoic acid, and HO2C12H17 = adamantane acetic acid) in a stepwise fashion from S = 4 to S = 12 and, in-so-doing, enhance the energy barrier for magnetization reorientation to record levels. The change from antiferromagnetic to ferromagnetic exchange stems from the "twisting" or "puckering" of the (-Mn-N-O-)(3) ring, as evidenced by the changes in the Mn-N-O-Mn torsion angles.