5-(4-methylsulfanylphenyl)furan-2-carbaldehyde | 57666-97-4

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 5-(4-methylsulfanylphenyl)furan-2-carbaldehyde
• 英文别名: 5-(p-methylthiophenyl)-2-furaldehyde
• CAS: 57666-97-4
• 化学式: C₁₂H₁₀O₂S
• mdl: MFCD06801911
• 分子量: 218.276
• InChiKey: AAUWFBPPDTZHNP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.083
• 拓扑面积：
  55.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-(4-methylsulfanylphenyl)furan-2-carbaldehyde 在 盐酸羟胺 、 sodium acetate 、 乙酸酐 作用下， 以 乙醇 、 水 为溶剂， 反应 6.0h， 生成 5-(p-methylthiophenyl)-2-furonitrile
  参考文献：
  名称：

  Pong; Pelosi Jr.; Wessels, Arzneimittel-Forschung/Drug Research, 1983, vol. 33, # 10, p. 1411 - 1416

  摘要：

  DOI：
• 作为产物：
  描述：

  5-溴-2-呋喃甲醛 、 4-甲硫基苯硼酸 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 四(三苯基膦)钯 potassium carbonate 作用下， 以 乙醇 、 水 、 甲苯 为溶剂， 反应 5.0h， 以88%的产率得到5-(4-methylsulfanylphenyl)furan-2-carbaldehyde
  参考文献：
  名称：

  非硫醇法呢基转移酶抑制剂：N-（4-甲苯基乙酰氨基-3-苯甲酰基苯基）-3-芳基呋喃基丙烯酸酰胺。

  摘要：

  我们已经设计了芳基呋喃基丙烯酸取代的二苯甲酮作为非硫醇法呢基转移酶抑制剂，利用了法呢基转移酶的新型芳基结合位点。这些化合物在低纳摩尔范围内显示活性。

  DOI：

  10.1016/j.bmc.2004.07.010

文献信息

• 5-PHENYL-2-FURAMIDOXIMES
  申请人：Morton-Norwich Products, Inc.

  公开号：US03946049A1

  公开（公告）日：1976-03-23

  A series of 5-phenyl-2-furamidoximes are useful as antidepressants.

  一系列的5-苯基-2-呋喃肟类化合物可作为抗抑郁药物。
• 1,5-Dideoxy-1,5-imino-D-glucitol Compounds
  申请人：Lin Chun-Hung

  公开号：US20100113519A1

  公开（公告）日：2010-05-06

  1,5-Dideoxy-1,5-imino-D-glucitol compounds as shown in the specification. Also disclosed is a method of treating a hexosaminidase-associated disease.

  规范中显示的1,5-二去氧-1,5-亚胺-D-葡萄糖醇化合物。还公开了一种治疗己糖氨基酸酶相关疾病的方法。
• Inhibitors of HCV NS5B polymerase. Part 1: Evaluation of the southern region of (2Z)-2-(benzoylamino)-3-(5-phenyl-2-furyl)acrylic acid
  作者：Jeffrey A. Pfefferkorn、Meredith L. Greene、Richard A. Nugent、Rebecca J. Gross、Mark A. Mitchell、Barry C. Finzel、Melissa S. Harris、Peter A. Wells、John A. Shelly、Robert A. Anstadt、Robert E. Kilkuskie、Laurice A. Kopta、Francis J. Schwende

  DOI：10.1016/j.bmcl.2005.03.066

  日期：2005.5

  A novel series of nonnucleoside HCV NS5B polymerase inhibitors were prepared from (2Z)-2-(benzoylamino)-3-(5-phenyl-2-furyl)acrylic acid, a high throughput screening lead. SAR studies combined with structure based drug design focusing on the southern heterobiaryl region of the template led to the synthesis of several potent and orally bioavailable lead compounds. X-ray crystallography studies were also performed to understand the interaction of these inhibitors with HCV NS5B polymerase.
• Structure–Activity relationships of novel anti-Malarial agents. Part 4: N-(3-Benzoyl-4-tolylacetylaminophenyl)-3-(5-aryl-2-furyl)acrylic acid amides
  作者：Jochen Wiesner、Andreas Mitsch、Pia Wißner、Oliver Krämer、Hassan Jomaa、Martin Schlitzer

  DOI：10.1016/s0960-894x(02)00555-3

  日期：2002.10

  In a previous report, we have described novel anti-malarial compounds based on a 2,5-diaminobenzophenone scaffold. Here, we have invesigated acryloyl derivatives carrying a biaryl structure consisting of a terminal aryl residue and a central 2-furyl ring. Several compounds were obtained in the series of para-substituted phenylfurylacryloyl derivatives that displayed improved anti-malarial activity in comparison to earlier described derivatives. From the structure-activity relationships it can be deduced that there has to be a lipophilic moiety in the para-position of the terminal phenyl residue. Furthermore, there are indications that, alternatively, activity may benefit from the presence of a polar moiety with hydrogen bond acceptor properties. (C) 2002 Elsevier Science Ltd. All rights reserved.
• US3946049A
  申请人：——

  公开号：US3946049A

  公开（公告）日：1976-03-23