5-(3-chloro-4-fluorophenyl)-2-furoic acid | 496044-15-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 呋喃
• 英文名称: 5-(3-chloro-4-fluorophenyl)-2-furoic acid
• 英文别名: 5-(3-chloro-4-fluorophenyl)furoic acid；5-(3-Chloro-4-fluorophenyl)furan-2-carboxylic acid
• CAS: 496044-15-6
• 化学式: C₁₁H₆ClFO₃
• mdl: MFCD05843219
• 分子量: 240.618
• InChiKey: MGUVQRGVUWXOGD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  16
• 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：
  50.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-(3-chloro-4-fluorophenyl)-2-furoic acid 在 草酰氯 、 potassium carbonate 作用下， 以 四氢呋喃 、 水 为溶剂， 生成 (2R)-2-[[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
  参考文献：
  名称：

  Discovery of new C3aR ligands. Part 1: Arginine derivatives

  摘要：

  The synthesis and in vitro binding of several new arginine-containing C3aR ligands are reported. DMPK properties and functional activities of selected compounds have been evaluated. One compound is shown to be active in an in vivo model of airway inflammation after aerosol administration. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.04.022
• 作为产物：
  描述：

  5-溴-2-糠酸甲酯 在 四(三苯基膦)钯 lithium hydroxide 、 sodium carbonate 作用下， 以 四氢呋喃 、 乙二醇二甲醚 为溶剂， 生成 5-(3-chloro-4-fluorophenyl)-2-furoic acid
  参考文献：
  名称：

  Discovery of new C3aR ligands. Part 1: Arginine derivatives

  摘要：

  The synthesis and in vitro binding of several new arginine-containing C3aR ligands are reported. DMPK properties and functional activities of selected compounds have been evaluated. One compound is shown to be active in an in vivo model of airway inflammation after aerosol administration. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.04.022

文献信息

• Bhat, K. Subrahmanya; Karthikeyan; Holla, B. Shivarama, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2004, vol. 43, # 8, p. 1765 - 1769
  作者：Bhat, K. Subrahmanya、Karthikeyan、Holla, B. Shivarama、Shetty, N. Suchetha

  DOI：——

  日期：——
• Synthetic and antibacterial studies on some new furanopeptides
  作者：Boja Poojary、S.L. Belagali、K. Harish Kumar、B. Shivarama Holla

  DOI：10.1016/s0014-827x(03)00092-2

  日期：2003.8

  A series of new furanopeptides (3) are prepared by the coupling of arylsubstituted furoic acids (1) with amino acid methyl esters, di and tetra-peptide methyl esters using dicyclohexyl carbodiimide (DCC) as coupling agent. Some of the newly synthesized compounds are characterized on the basis of IR, 1H NMR, mass spectral data and elemental analysis. Some of the selected compounds are also tested for their antibacterial properties.
• Synthesis of some new biologically active thiadiazolotriazinones–Part III
  作者：B. Shivarama Holla、B. Sooryanarayana Rao、Richard Gonsalves、B.K. Sarojini、K. Shridhara

  DOI：10.1016/s0014-827x(02)01260-0

  日期：2002.7

  4-Amino-6-arylmethyl/tert-butyl-3-mercapto-1,2,4-triazin-5(4H)-ones (1) were condensed with arylfuroic acids (2) to yield 7-(5-aryl-2-furyl)-3-arylmethyl/tert-butyl-4H-1,3,4-thiadiazolo[2,3-c]-1,2,4-triazin-4-ones (3). The newly synthesized compounds exhibited antibacterial activity comparable to that of nitrofurazone. In addition, two compounds displayed in vitro antitumor activity with moderate growth inhibition against a panel of 60 tumor cell lines.
• Discovery of new C3aR ligands. Part 1: Arginine derivatives
  作者：Frédéric Denonne、Sophie Binet、Maggi Burton、Philippe Collart、Alan Dipesa、Tanmoy Ganguly、Alexander Giannaras、Seema Kumar、Timothy Lewis、Florence Maounis、Jean-Marie Nicolas、Tamsin Mansley、Patrick Pasau、Dorin Preda、Karin Stebbins、Alexander Volosov、Dong Zou

  DOI：10.1016/j.bmcl.2007.04.022

  日期：2007.6

  The synthesis and in vitro binding of several new arginine-containing C3aR ligands are reported. DMPK properties and functional activities of selected compounds have been evaluated. One compound is shown to be active in an in vivo model of airway inflammation after aerosol administration. (c) 2007 Elsevier Ltd. All rights reserved.