3-甲酰基-噻吩-2-羧酸甲酯 | 67808-71-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 中文名称: 3-甲酰基-噻吩-2-羧酸甲酯
• 英文名称: methyl 3-formylthiophene-2-carboxylate
• CAS: 67808-71-3
• 化学式: C₇H₆O₃S
• mdl: MFCD01859944
• 分子量: 170.189
• InChiKey: PPNVUVBYMGWBSG-UHFFFAOYSA-N

物化性质

• 熔点：
  52.5-54.4 °C
• 沸点：
  300.9±27.0 °C(Predicted)
• 密度：
  1.324±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  71.6
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  3-甲酰基-噻吩-2-羧酸甲酯 在 sodium tetrahydroborate 、 sodium dihydrogenphosphate 作用下， 以 甲醇 、 水 、 乙酸乙酯 为溶剂， 反应 1.0h， 以100%的产率得到Methyl 3-(hydroxymethyl)-2-thenoate
  参考文献：
  名称：

  Novel heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents

  摘要：

  这项发明涉及一般式(I)的新杂环化合物及其与碱或酸形成的盐： 该发明还涉及制备这些化合物的方法，以及它们作为药物的用途，特别是作为抗菌剂。

  公开号：

  US20050245505A1
• 作为产物：
  描述：

  methyl 3-(dibromomethyl)thiophene-2-carboxylate 在 吡啶 、 水 作用下， 反应 1.17h， 以91%的产率得到3-甲酰基-噻吩-2-羧酸甲酯
  参考文献：
  名称：

  A versatile method for the hydrolysis of gem-dibromomethylarenes bearing carboxylate or boronate group into aldehydes

  摘要：

  Hydrolysis of geni-dibromomethylarenes bearing carboxylate or boronate group to corresponding aldehydes without affecting the ester group was successfully accomplished in high yields by subjecting them to refluxing pyridine. Both aromatic and heteroaromatic substrates gave the corresponding aldehydes in good yields. This method was efficiently adapted for the large scale synthesis of 2d and 2f. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.11.030

文献信息

• POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1
  申请人：Vanderbilt University

  公开号：US20190330226A1

  公开（公告）日：2019-10-31

  Described are positive allosteric modulators of muscarinic acetylcholine receptor M 1 (mAChR M 1 ), pharmaceutical compositions including the compounds, and methods of using the compounds and compositions for treating neurological disorders, psychiatric disorders, or a combination thereof.

  描述了肌胆碱受体M1（mAChR M1）的正向变构调节剂，包括这些化合物的药物组合物，以及使用这些化合物和组合物治疗神经系统疾病、精神疾病或二者结合的方法。
• Synthesis of Conformationally-Constrained Glutamate Analogues of the Antitumor Agents DDATHF, LY254155, and LY231514
  作者：Edward C. Taylor、Lee D. Jennings、Zhenmin Mao、Baihua Hu、Jong-Gab Jun、Ping Zhou

  DOI：10.1021/jo9703459

  日期：1997.8.1

  Analogues of the active antitumor agents DDATHF (4), LY254155 (11), and LY231514 (14) have been prepared in which the rotational flexibility of the benzoylglutamate amide linkage is constrained by incorporation of a methylene bridge between the glutamate amide nitrogen and the ortho position of the aromatic ring. Evaluation of the resulting isoindolinones as in vitro inhibitors of the growth of CCRF-CEM cells revealed that, although some analogues retained activity, in no case was cytotoxicity enhanced, and in some cases it was substantially reduced.
• DIPEPTIDYL PEPTIDASE-IV INHIBITORS
  申请人：Kroth Heiko

  公开号：US20100009961A1

  公开（公告）日：2010-01-14

  The present invention relates generally to pyrrolidine and thiazolidine DPP-IV inhibitor compounds. The present invention also provides synthetic methods for preparation of such compounds, methods of inhibiting DPP-IV using such compounds and pharmaceutical formulations containing them for treatment of DPP-IV mediated diseases, in particular, Type-2 diabetes.
• Dipeptidyl Peptidase-IV Inhibitors
  申请人：KROTH Heiko

  公开号：US20110112051A1

  公开（公告）日：2011-05-12

  The present invention relates generally to pyrrolidine and thiazolidine DPP-IV inhibitor compounds. The present invention also provides synthetic methods for preparation of such compounds, methods of inhibiting DPP-IV using such compounds and pharmaceutical formulations containing them for treatment of DPP-IV mediated diseases, in particular, Type-2 diabetes.
• US7288549B2
  申请人：——

  公开号：US7288549B2

  公开（公告）日：2007-10-30

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