dibenzyl 7,8-dihydro-3-methyl-6-oxo-7-phenylacetamido-2H,6H-pyrido<2,1-b><1,3>thiazine-4,9-dicarboxylate | 78877-43-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: dibenzyl 7,8-dihydro-3-methyl-6-oxo-7-phenylacetamido-2H,6H-pyrido<2,1-b><1,3>thiazine-4,9-dicarboxylate
• 英文别名: dibenzyl 3-methyl-6-oxo-7-[(2-phenylacetyl)amino]-7,8-dihydro-2H-pyrido[2,1-b][1,3]thiazine-4,9-dicarboxylate
• CAS: 78877-43-7
• 化学式: C₃₃H₃₀N₂O₆S
• 分子量: 582.677
• InChiKey: ATKZLXHSGPHYAM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  42
• 可旋转键数：
  11
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  127
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  benzyl 3-methyl-2-oxobut-3-enoate 在 三氯化磷 作用下， 以 1,4-二氧六环 、 苯 为溶剂， 反应 19.5h， 生成 dibenzyl 7,8-dihydro-3-methyl-6-oxo-7-phenylacetamido-2H,6H-pyrido<2,1-b><1,3>thiazine-4,9-dicarboxylate
  参考文献：
  名称：

  Capps, Nigel K.; Davies, Gareth M.; Loakes, David, Journal of the Chemical Society. Perkin transactions I, 1991, # 12, p. 3077 - 3086

  摘要：

  DOI：

文献信息

• Simple and effective synthesis of pyrido[2,1-b]thiazines
  作者：Richard W. McCabe、Douglas W. Young、Gareth M. Davies

  DOI：10.1039/c39810000395

  日期：——

  1,3-thiazine derivatives (1, R1= h) is achieved using substituted acrylic acids under peptide coupling conditions; use of sterically hindered acrylic acids results in an anomalous reaction and the thiazine derivative (1, R1= R2= Et) gives an interesting rearrangement.

  在肽偶联条件下，使用取代的丙烯酸可一步一步完成1,3-噻嗪衍生物（1，R 1 = h）的成环反应。使用位阻丙烯酸会导致反常反应，噻嗪衍生物（1，R 1 = R 2 = Et）产生有趣的重排。
• An interesting dichotomy in the cyclisation of exocyclic enamines with protected dehydroamino acids leading to different β-turn templates
  作者：Jane M. Berry、Paul M. Doyle、Douglas W. Young

  DOI：10.1016/s0040-4039(02)02141-x

  日期：2002.12

  Two templates for the preparation of external beta-turns have been synthesised. In the course of the synthetic studies an interesting dichotomy was observed in the PCl3 catalysed reaction of exocyclic enamines such as 6 and 14 with protected dehydroamino acids. When amide protected dehydroamino acids were condensed with 6 and 14 the expected 6/6 and 6/5 fused bicyclic compounds such as 7 and 15 respectively were obtained, whereas when urethane protected dehydroamino acids were used, the 5/6 and 5/5 fused products 9 and 18 were obtained.(C) 2002 Elsevier Science Ltd. All rights reserved.
• MCCABE R. W.; YOUNG D. W.; DAVIES G. M., J. CHEM. SOC. CHEM. COMMUN., 1981, NO 9, 395-396
  作者：MCCABE R. W.、 YOUNG D. W.、 DAVIES G. M.

  DOI：——

  日期：——