4-chloro-3,4',3',4''-tercoumarin | 19345-55-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 4-chloro-3,4',3',4''-tercoumarin
• 英文别名: 4-Chlor-3.4',3'.4''-tercoumarin；4-(4-chloro-2-oxochromen-3-yl)-3-(2-oxochromen-4-yl)chromen-2-one
• CAS: 19345-55-2
• 化学式: C₂₇H₁₃ClO₆
• 分子量: 468.85
• InChiKey: ZAZJSZYEBPNYJW-UHFFFAOYSA-N

物化性质

• 熔点：
  322-327 °C(Solv: acetic acid (64-19-7))
• 沸点：
  651.1±55.0 °C(Predicted)
• 密度：
  1.57±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  34
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  78.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-chloro-3,4',3',4''-tercoumarin 在 苯胺 作用下， 生成 4-chloro-[3,4']bichromenyl-2,2'-dione
  参考文献：
  名称：

  Checchi,S. et al., Gazzetta Chimica Italiana, 1969, vol. 99, p. 501 - 513

  摘要：

  DOI：
• 作为产物：
  描述：

  4-羟基香豆素 在 三氯氧磷 作用下， 生成 4-chloro-3,4',3',4''-tercoumarin
  参考文献：
  名称：

  Checchi,S. et al., Gazzetta Chimica Italiana, 1969, vol. 99, p. 501 - 513

  摘要：

  DOI：

文献信息

• 4-Thio coumarins
  申请人：——

  公开号：US20040002538A1

  公开（公告）日：2004-01-01

  4-thio substituted coumarin derivatives and coumarin dimers are provided, as well as processes for their preparation. A synthetic process for the preparation of 4-thio substituted coumarin derivatives is provided using mild reaction conditions, which maintains a high substituent tolerance and is appropriate for use in solid phase syntheses for producing a library of 4-thio substituted coumarin derivatives for biological screening.

  提供4-硫代取代香豆素衍生物和香豆素二聚体，以及它们的制备方法。提供了一种使用温和反应条件的合成方法，用于制备4-硫代取代香豆素衍生物，该方法具有高取代基耐受性，并适用于固相合成，以生产用于生物筛选的4-硫代取代香豆素衍生物库。
• In vitro antimicrobial and antimycobacterial activity of some chalcones and their derivatives
  作者：Divyesh Patel、Premlata Kumari、Navin B. Patel

  DOI：10.1007/s00044-012-0073-3

  日期：2013.2

  In this study, novel series of chalcone derivatives, namely, 4-[4-(3-phenyl-acryloyl)-phenylamino]-chromen-2-one (5a-k) have been synthesized from the intermediate 4-(4-acetyl-phenylamino)-chromen-2-one (4). Cyclization reaction of chalcone (5a-k) with hydrazine hydrate, guanidine nitrate, and malononitrile gives the corresponding 4-[4-(1-acetyl-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-phenylamino]-chromen-2-one (6a-k), 4-[4-(2-amino-6-phenyl-pyrimidin-4-yl)-phenylamino]-chromen-2-one (7a-k), and 2-amino-6-[4-(2-oxo-2H-chromen-4-ylamino)-phenyl]-4-phenyl-nicotinonitrile (8a-k) derivatives were synthesized. The newly synthesized compounds were evaluated for their antimycobacterial activity and antimicrobial activity against eight bacteria (S. aureus, B. cereus, E. coli, P. aeruginosa, K. pneumoniae, S. typhi, P. vulgaris, and S. flexneri) and four fungi (A. niger, C. albicans, A. fumigatus, and A. clavatus).
• US6703514B2
  申请人：——

  公开号：US6703514B2

  公开（公告）日：2004-03-09
• US7148253B2
  申请人：——

  公开号：US7148253B2

  公开（公告）日：2006-12-12
• [EN] 4-THIO COUMARINS<br/>[FR] 4-THIO COUMARINES
  申请人：VIVOQUEST INC

  公开号：WO2005068450A1

  公开（公告）日：2005-07-28

  4-Thio substituted coumarin derivatives, 4,5-dithio substituted coumarin derivatives, and coumarin dimers are provided, as well as processes for their preparation. The invention also provides a method and composition for the treatment of hepatitis C virus (HCV) by administering 4-thio substituted coumarin derivatives, 4,5-dithio substituted coumarin derivatives, and coumarin dimers.