4-(4-fluoro-phenyl)-2-phenyl-2,3-dihydro-benzo[b][1,4]thiazepine | 64820-42-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并硫氮卓类
• 英文名称: 4-(4-fluoro-phenyl)-2-phenyl-2,3-dihydro-benzo[b][1,4]thiazepine
• 英文别名: 4-(4-Fluorophenyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine
• CAS: 64820-42-4
• 化学式: C₂₁H₁₆FNS
• 分子量: 333.429
• InChiKey: GOMBAPKEAWCQGB-UHFFFAOYSA-N

物化性质

• 熔点：
  102-103 °C(Solv: methanol (67-56-1))
• 沸点：
  465.4±45.0 °C(Predicted)
• 密度：
  1.19±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  37.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-(2-Amino-phenylsulfanyl)-1-(4-fluoro-phenyl)-3-phenyl-propan-1-one 以73%的产率得到
  参考文献：
  名称：

  LEVAI A.; BOGNAR R., ACTA CHIM. ACAD. SCI. HUNG. , 1977, 92, NO 4, 415-419

  摘要：

  DOI：

文献信息

• Magnesium Perchlorate as a New and Highly Efficient Catalyst for the Synthesis of 2,3-Dihydro-1,5-benzothiazepines
  作者：Asit Chakraborti、Gopal Khatik、Raj Kumar

  DOI：10.1055/s-2007-965892

  日期：2007.2

  Commercially available magnesium perchlorate has been found to be a highly efficient catalyst for the reaction of 1,3-diarylprop-2-enones with 2-aminothiophenol leading to the synthesis of 2,3-dihydro-1,5-benzothiazepines in high yields and in short times.

  商业化的过氯酸镁被发现是一种高效的催化剂，可以促使1,3-二芳基丙-2-酮与2-氨基噻吩醇的反应，从而在短时间内以高产率合成2,3-二氢-1,5-苯噻嗪。
• ‘On water’ synthesis of 2,4-diaryl-2,3-dihydro-1,5-benzothiazepines catalysed by sodium dodecyl sulfate (SDS)
  作者：Gaurav Sharma、Raj Kumar、Asit K. Chakraborti

  DOI：10.1016/j.tetlet.2008.04.146

  日期：2008.6

  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.