(4-Benzyl-3-oxo-3,4-dihydro-2H-benzo[1,4]thiazin-2-yl)-acetic acid ethyl ester | 143161-04-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻嗪类
• 英文名称: (4-Benzyl-3-oxo-3,4-dihydro-2H-benzo[1,4]thiazin-2-yl)-acetic acid ethyl ester
• 英文别名: Ethyl 2-(4-benzyl-3-oxo-1,4-benzothiazin-2-yl)acetate
• CAS: 143161-04-0
• 化学式: C₁₉H₁₉NO₃S
• 分子量: 341.431
• InChiKey: MMTQKBUMJIINCE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  71.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (4-Benzyl-3-oxo-3,4-dihydro-2H-benzo[1,4]thiazin-2-yl)-acetic acid ethyl ester 在 lithium hydroxide 作用下， 以 四氢呋喃 为溶剂， 生成 2-[4-Benzyl-3, 4-dihydro-3-oxo-2H-1, 4-benzothiazin-2-yl]acetic acid
  参考文献：
  名称：

  Identification of novel potent bicyclic peptide deformylase inhibitors

  摘要：

  Collections of small secondary amines for compound library generation can be efficiently prepared by amide reduction using BH3-THF or Red-Al followed by brief methanolysis, trapping with di-tert-butyl dicarbonate, and deprotection with 4 M HCl in dioxane. The sequence requires no chromatography or distillation and provides multi-gram quantities of pure HCl salts in a short time. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.01.014
• 作为产物：
  描述：

  2-(3-氧-3,4-二羟基-2H-1,4-苯并噻嗪-2-基)乙酸乙酯 、 alkaline earth salt of/the/ methylsulfuric acid 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 (4-Benzyl-3-oxo-3,4-dihydro-2H-benzo[1,4]thiazin-2-yl)-acetic acid ethyl ester
  参考文献：
  名称：

  Identification of novel potent bicyclic peptide deformylase inhibitors

  摘要：

  Collections of small secondary amines for compound library generation can be efficiently prepared by amide reduction using BH3-THF or Red-Al followed by brief methanolysis, trapping with di-tert-butyl dicarbonate, and deprotection with 4 M HCl in dioxane. The sequence requires no chromatography or distillation and provides multi-gram quantities of pure HCl salts in a short time. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.01.014

文献信息

• Identification of novel potent bicyclic peptide deformylase inhibitors
  作者：Valentina Molteni、Xiaohui He、Juliet Nabakka、Kunyong Yang、Andreas Kreusch、Perry Gordon、Badry Bursulaya、Ian Warner、Tanya Shin、Tanya Biorac、Neil S. Ryder、Ron Goldberg、John Doughty、Yun He

  DOI：10.1016/j.bmcl.2004.01.014

  日期：2004.3

  Collections of small secondary amines for compound library generation can be efficiently prepared by amide reduction using BH3-THF or Red-Al followed by brief methanolysis, trapping with di-tert-butyl dicarbonate, and deprotection with 4 M HCl in dioxane. The sequence requires no chromatography or distillation and provides multi-gram quantities of pure HCl salts in a short time. (C) 2004 Elsevier Ltd. All rights reserved.