2-amino-N-(4-chlorophenyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide | 69438-16-0

• 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: 2-amino-N-(4-chlorophenyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
• 英文别名: 2-amino-N-(4-chlorophenyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide；2-amino-N-(4-chlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
• CAS: 69438-16-0
• 化学式: C₁₅H₁₅ClN₂OS
• mdl: MFCD01176767
• 分子量: 306.816
• InChiKey: VVPQBUDAEUZLLF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  83.4
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  2-amino-N-(4-chlorophenyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide 在 乙醚 、 三甲基硅烷化重氮甲烷 作用下， 以 四氢呋喃 、 甲醇 、 正己烷 为溶剂， 反应 5.25h， 生成 methyl 2-[[3-[(4-chlorophenyl)carbamoyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]carbamoyl]cyclohexanecarboxylate
  参考文献：
  名称：

  [EN] THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS
  [FR] DÉRIVÉS DE THIOPHÈNE UTILES EN TANT QU'AGENTS ANTIVIRAUX

  摘要：

  新抗病毒药物及其用途。本发明涉及一种具有抗病毒效果的新化合物类别(I)及其用途。

  公开号：

  WO2018122317A1
• 作为产物：
  描述：

  N-(4-chlorophenyl)-2-cyano-2-cyclohexylideneacetamide 以55%的产率得到
  参考文献：
  名称：

  SCHELLHASE, M.;BOEHM, R.;PECH, R., PHARMAZIE, 1984, 39, N 1, 19-21

  摘要：

  DOI：

文献信息

• Barium aluminate nano-powders efficient catalyst for the synthesis of novel benzo[b]thiophene, thieno[2,3-c]thiopyran and thieno[2,3-c]pyridine derivatives
  作者：Hossein Yarahmadi、Majid Ghashang、Saeid Jabbar Zare、Alireza Khodaivandi

  DOI：10.1080/10426507.2017.1295961

  日期：2017.8.3

  aluminate (BaAl2O4) can be synthesized by a facile solution reaction at room temperature using barium and aluminum salts and 2-aminoethanol as a precipitating agent. The as-prepared sample showed a good reactivity in the synthesis of benzo[b]thiophene, thieno[2,3-c]thiopyran and thieno[2,3-c]pyridine derivatives. Comparatively the method is efficient and eco-friendly, and finally, a range of compounds with

  图形摘要摘要 铝酸钡 (BaAl2O4) 的均匀纳米粉末可以在室温下使用钡盐和铝盐以及 2-氨基乙醇作为沉淀剂通过简单的溶液反应合成。所制备的样品在苯并[b]噻吩、噻吩并[2,3-c]噻喃和噻吩并[2,3-c]吡啶衍生物的合成中显示出良好的反应性。相比之下，该方法高效且环保，最终可以以优异的收率获得一系列具有可变功能的化合物。
• Synthesis of some 3-substituted amino-4,5-tetramethylene thieno[2,3-d][ 1,2,3]-triazin-4(3H)-ones as potential antimicrobial agents
  作者：Janardhanan Saravanan、Shamanna Mohan、Jay Jyoti Roy

  DOI：10.1016/j.ejmech.2010.05.061

  日期：2010.9

  A series of 3-Substituted amino-4,5-tetramethylene thieno[2,3-d] [1,2,3]-triazine-4(3 (H) under bar )ones have been synthesized and characterized by UV,IR, 1H NMR, elemental and mass spectral analysis. The title compounds were evaluated for their antimicrobial activity by agar diffusion method against four bacteria and three fungi using Ampicillin and Miconazole nitrate as standards. The compounds Villa, IXa, Xa and XIa showed an antimicrobial efficacy considerably greater than the compounds la to Vila with -H, phenyl and electron donating (activating) groups like methyl, ethyl and tolyl substitutions at R. suggesting that lipophillic groups like chloro, fluoro substitution on the phenyl ring plays an important role in enhancing the antimicrobial properties of this class of compounds.From the screening results it can be concluded that the compounds having the lipophillic groups like chlorophenyl and fluorophenyl groups at R exhibited appreciable antimicrobial activities. Whereas, the compounds are having -H, phenyl and electron donating (activating) groups like methyl, ethyl and tolyl substituents at R were less active against all the organisms used. (C) 2010 Elsevier Masson SAS. All rights reserved.
• 2-Aminothiophene-3-carboxylates and carboxamides as adenosine A1 receptor allosteric enhancers
  作者：George Nikolakopoulos、Heidi Figler、Joel Linden、Peter J. Scammells

  DOI：10.1016/j.bmc.2005.11.018

  日期：2006.4

  Three series of 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene and 2-amino-5,6,7,8-tetrahydrocyclohepta[b]thiophenes with 3-carboxylates and carboxamides have been prepared using the Gewald synthesis and evaluated as AIAR allosteric enhancers. The structure-activity relationships of these classes of compound are described. A number of compounds, notably 7b, are more potent and efficacious than PD81,723 (1). (c) 2005 Elsevier Ltd. All rights reserved.
• Schellhase; Bohm; Pech, Pharmazie, 1984, vol. 39, # 1, p. 19 - 21
  作者：Schellhase、Bohm、Pech

  DOI：——

  日期：——
• Zaki, Mayssoune Y., Egyptian Journal of Chemistry, 2012, vol. 55, # 5, p. 549 - 560
  作者：Zaki, Mayssoune Y.

  DOI：——

  日期：——