N-(3-chlorophenyl)thiophene-2-carboxamide | 79822-82-5

• 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: N-(3-chlorophenyl)thiophene-2-carboxamide
• 英文别名: thiophene-2-carboxylic acid-(3-chloro-anilide)；Thiophen-2-carbonsaeure-(3-chlor-anilid)；3'-chloro-2-thiophenecarboxanilide
• CAS: 79822-82-5
• 化学式: C₁₁H₈ClNOS
• mdl: MFCD00589534
• 分子量: 237.71
• InChiKey: FHTIWIPMVNMNHO-UHFFFAOYSA-N

物化性质

• 保留指数：
  2151

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  57.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-噻吩甲酸 在 氯化亚砜 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.5h， 生成 N-(3-chlorophenyl)thiophene-2-carboxamide
  参考文献：
  名称：

  噻吩和呋喃的芳香族化合物的核磁共振波谱分析法测定噻吩和呋喃的芳香指数

  摘要：

  一系列的米-和p -取代的苯甲酸，2-噻吩甲酸，和2-糠酸酰替苯胺的制备和它们的1 H和13 C NMR光谱特性进行了研究。通常，在酰基芳香环的质子和碳信号的化学位移与Hammettσ之间观察到良好的相关性。在二甲亚砜-d 6中，苯甲酰苯胺的羰基碳的化学位移值与2-硫代酰胺和2-呋喃酰胺的化学位移图具有极好的相关性，其斜率值分别为0.79和0.52 。该斜率可以被认为是一组芳香性指数。

  DOI：

  10.1002/jhet.5570390616

文献信息

• Potassium Carbonate Promoted C–N Coupling Reaction between Benzamides and Aryl Iodides
  作者：Songlin Zhang、Fei Huang、San Wu、Weiye Hu

  DOI：10.1055/s-0036-1591843

  日期：2018.3

  benz­amides promoted by potassium carbonate in the presence of DMEDA was developed. The reaction was carried out without addition of any transition-metal catalyst to afford a variety of N-arylated products in moderate to good yields (up to 97%). A practical and efficient method for N-arylation of benz­amides promoted by potassium carbonate in the presence of DMEDA was developed. The reaction was carried out

  摘要 开发了一种在DMEDA存在下碳酸钾促进的苯甲酰胺N-芳基化的实用有效方法。该反应在不添加任何过渡金属催化剂的情况下进行，以中等至良好的产率（高达97％）提供了多种N-芳基化产物。 开发了一种在DMEDA存在下碳酸钾促进的苯甲酰胺N-芳基化的实用有效方法。该反应在不添加任何过渡金属催化剂的情况下进行，以中等至良好的产率（高达97％）提供了多种N-芳基化产物。
• Efficient ligand-free copper-catalyzed N-arylation of amides with aryl halides in water
  作者：Fui-Fong Yong、Yong-Chua Teo、Guan-Leong Chua、Gina Shiyun Lim、Yizhen Lin

  DOI：10.1016/j.tetlet.2011.01.003

  日期：2011.3

  A convenient and efficient protocol has been developed for the cross-coupling of amides and aryl iodides using a ligand-free copper(I) oxide catalyst in water. A variety of amide derivatives afforded the corresponding N-arylated products in moderate to good yields (up to 88%).

  已经开发了一种方便有效的方案，用于在水中使用无配位体的氧化铜（I）催化剂将酰胺和芳基碘化物交叉偶联。各种酰胺衍生物以中等至良好的产率（高达88％）提供了相应的N-芳基化产物。
• NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS
  申请人：Boléa Christelle

  公开号：US20100137336A1

  公开（公告）日：2010-06-03

  The present invention relates to novel compounds of Formula (I), wherein X 1 , X 2 , X 3 , X 4 , A m and B n are defined as in Formula (I); invention compounds are modulators of metabotropic glutamate receptors—subtype 4 (“mGluR4”) which are useful for the treatment or prevention of central nervous system disorders as well as other disorders modulated by mGluR4 receptors. The invention is also directed to pharmaceutical compositions and the use of such compounds in the manufacture of medicaments, as well as to the use of such compounds for the prevention and treatment of such diseases in which mGluR4 is involved.

  本发明涉及公式（I）的新化合物，其中X1、X2、X3、X4、A和Bn的定义如公式（I）中所述；发明化合物是代谢型谷氨酸受体-亚型4（“mGluR4”）的调节剂，可用于治疗或预防中枢神经系统疾病以及其他受mGluR4受体调节的疾病。本发明还涉及制药组合物及其在制造药物方面的使用，以及在涉及mGluR4的疾病的预防和治疗中使用此类化合物。
• Novel amido derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors
  申请人：Bolea Christelle

  公开号：US20110257182A1

  公开（公告）日：2011-10-20

  The present invention relates to novel compounds of Formula (I), wherein X 1 , X 2 , X 3 , X 4 , A m and B n are defined as in Formula (I); invention compounds are modulators of metabotropic glutamate receptors—subtype 4 (“mGluR4”) which are useful for the treatment or prevention of central nervous system disorders as well as other disorders modulated by mGluR4 receptors. The invention is also directed to pharmaceutical compositions and the use of such compounds in the manufacture of medicaments, as well as to the use of such compounds for the prevention and treatment of such diseases in which mGluR4 is involved.

  本发明涉及一种新型的化合物，其化学式为(I)，其中X1、X2、X3、X4、A和Bn的定义如化学式(I)中所示；发明的化合物是代谢型谷氨酸受体亚型4（“mGluR4”）的调节剂，可用于治疗或预防中枢神经系统疾病以及其他由mGluR4受体调节的疾病。本发明还涉及制药组合物以及使用这些化合物制备药物的方法，以及使用这些化合物预防和治疗涉及mGluR4的疾病的方法。
• Buu-Hoi; Hoan, Recueil des Travaux Chimiques des Pays-Bas, 1949, vol. 68, p. 5,29
  作者：Buu-Hoi、Hoan

  DOI：——

  日期：——