2-(4-methoxyphenyl)-4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine | 420809-56-9

• 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: 2-(4-methoxyphenyl)-4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine
• CAS: 420809-56-9
• 化学式: C₂₃H₂₁NOS
• 分子量: 359.492
• InChiKey: CGKRRUPJJLXLCB-UHFFFAOYSA-N

物化性质

• 熔点：
  108-110 °C
• 沸点：
  509.6±50.0 °C(Predicted)
• 密度：
  1.14±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  46.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(4-methoxyphenyl)-4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine 在 吡啶 、 盐酸 、 2-氨基苯硫醇 作用下， 以 乙醇 为溶剂， 反应 12.0h， 生成 1-[2-(4-Methoxy-phenyl)-4-p-tolyl-3,4-dihydro-2H-benzo[b][1,4]thiazepin-5-yl]-ethanone
  参考文献：
  名称：

  Khanna, Mahavir S.; Kumar, Dalip; Garg, Chandra P., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1995, vol. 34, # 4, p. 333 - 335

  摘要：

  DOI：
• 作为产物：
  描述：

  2-氨基苯硫醇 、 3-(4-methoxyphenyl)-1-p-tolylprop-2-en-1-one 反应 0.1h， 以65%的产率得到2-(4-methoxyphenyl)-4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine
  参考文献：
  名称：

  Synthesis of 1,5-benzothiazepines with Microwave Irradiation under Solvent and Catalyst-free Conditions

  摘要：

  在没有溶剂和催化剂的情况下，微波辐照α,β-p-不饱和酮（查尔酮）和邻氨基苯硫酚，为合成 1,5-苯并硫氮杂卓提供了一种高效的方法，产率为中等到良好。

  DOI：

  10.3184/030823409x416965

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。
• Synthesis of 1,5-benzothiazepines with Microwave Irradiation under Solvent and Catalyst-free Conditions
  作者：M. Rahman、A. Roy、A. Majee、A. Hajra

  DOI：10.3184/030823409x416965

  日期：2009.3

  Microwave irradiation of α,β-p-unsaturated ketones (chalcones) and o-aminothiophenol in the absence of solvent and catalyst provides a highly efficient methodology for the synthesis of 1,5-benzothiazepines in moderate to good yields.

  在没有溶剂和催化剂的情况下，微波辐照α,β-p-不饱和酮（查尔酮）和邻氨基苯硫酚，为合成 1,5-苯并硫氮杂卓提供了一种高效的方法，产率为中等到良好。
• ‘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.
• Green Protocol for Synthesis of 1,5-Benzodiazepines and 1,5-Benzothiazepines in the Presence of Nanocrystalline Aluminum Oxide
  作者：Rahim Hekmatshoar、Sodeh Sadjadi、Soudeh Shiri、Majid M. Heravi、Yahya S. Beheshtiha

  DOI：10.1080/00397910802657925

  日期：2009.6.23

  An efficient protocol associated with readily available starting materials, mild conditions, excellent yields, and a broad range of the products in synthetic chemistry was established for synthesis of 1,5-benzodiazepine and 1,5-benzothiazepine derivatives in the presence of a catalytic amount of nanocrystalline aluminum oxide in water.
• Khanna, Mahavir S.; Kumar, Dalip; Garg, Chandra P., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1995, vol. 34, # 4, p. 333 - 335
  作者：Khanna, Mahavir S.、Kumar, Dalip、Garg, Chandra P.、Kapoor, Ram P.

  DOI：——

  日期：——