4'-chloro-2-fluorochalcone | 1352574-46-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 4'-chloro-2-fluorochalcone
• 英文别名: (2E)-1-(4-chlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one；(E)-1-(4-chlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one
• CAS: 1352574-46-9
• 化学式: C₁₅H₁₀ClFO
• 分子量: 260.695
• InChiKey: UVDHXQBYZSKOPE-JXMROGBWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4'-chloro-2-fluorochalcone 、 2-氨基苯硫醇 在 sodium dodecyl-sulfate 作用下， 以 水 为溶剂， 反应 8.0h， 以64%的产率得到2,3-dihydro-2-(2-fluorophenyl)-4-(4-chlorophenyl)-1,5-benzothiazepine
  参考文献：
  名称：

  ‘On water’ synthesis of 2,4-diaryl-2,3-dihydro-1,5-benzothiazepines catalysed by sodium dodecyl sulfate (SDS)

  摘要：

  An efficient synthesis of 1,3-diaryl-2,3-dihydro-1,5-benzothiazepines has been developed by the reaction of various 1,3-diaryl-2-propenones with 2-aminothiophenol in water under neutral conditions catalysed by SDS. Excellent chemoselectivity was observed for substrates possessing halogen atoms or nitro/alkoxy/thioalkyl groups which did not undergo competitive aromatic nucleophilic substitution of the halogen atoms or the nitro group, reduction of the nitro or the a,p-unsaturated carbonyl group, or dealkylation of the alkoxy/thioalkoxy groups. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.04.146
• 作为产物：
  描述：

  对氯苯乙酮 、 2-氟苯甲醛 在 lithium hydroxide 作用下， 以 乙醇 为溶剂， 反应 0.58h， 生成 4'-chloro-2-fluorochalcone
  参考文献：
  名称：

  ‘On water’ synthesis of 2,4-diaryl-2,3-dihydro-1,5-benzothiazepines catalysed by sodium dodecyl sulfate (SDS)

  摘要：

  An efficient synthesis of 1,3-diaryl-2,3-dihydro-1,5-benzothiazepines has been developed by the reaction of various 1,3-diaryl-2-propenones with 2-aminothiophenol in water under neutral conditions catalysed by SDS. Excellent chemoselectivity was observed for substrates possessing halogen atoms or nitro/alkoxy/thioalkyl groups which did not undergo competitive aromatic nucleophilic substitution of the halogen atoms or the nitro group, reduction of the nitro or the a,p-unsaturated carbonyl group, or dealkylation of the alkoxy/thioalkoxy groups. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.04.146

文献信息

• Anti-infective compounds
  申请人：Brodin Priscille

  公开号：US20110178077A1

  公开（公告）日：2011-07-21

  The present invention relates to small molecule compounds and their use in the treatment of bacterial infections, in particular Tuberculosis.

  本发明涉及小分子化合物及其在治疗细菌感染，特别是结核病方面的用途。
• SAFAK, CIHAT;TAYHAN, AYLA;SARAC, SELMA;YULUG, NURAN, J. INDIAN CHEM. SOC., 67,(1990) N, C. 571-574
  作者：SAFAK, CIHAT、TAYHAN, AYLA、SARAC, SELMA、YULUG, NURAN

  DOI：——

  日期：——
• US8785452B2
  申请人：——

  公开号：US8785452B2

  公开（公告）日：2014-07-22