(3R)-9-cyclopropyl-2,3-dihydrothiopheno[3,4-d]thiazolo[3,2-a]pyridine-5-one-3-carboxylic acid methyl ester | 1404105-86-7

• 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: (3R)-9-cyclopropyl-2,3-dihydrothiopheno[3,4-d]thiazolo[3,2-a]pyridine-5-one-3-carboxylic acid methyl ester
• 英文别名: methyl (12R)-8-cyclopropyl-2-oxo-5,10-dithia-1-azatricyclo[7.3.0.03,7]dodeca-3,6,8-triene-12-carboxylate
• CAS: 1404105-86-7
• 化学式: C₁₄H₁₃NO₃S₂
• 分子量: 307.394
• InChiKey: AESOJEDJOYPWMZ-JTQLQIEISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  100
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  (3R)-7-chloromethyl-8-cyclopropyl-6-formyl-5-oxo-2,3-dihydrothiazolo[3,2-a]pyridine-3-carboxylic acid methyl ester 在 potassium thioacetate 、 溶剂黄146 作用下， 以 乙腈 、 甲醇 为溶剂， 反应 5.0h， 以70%的产率得到(3R)-9-cyclopropyl-2,3-dihydrothiopheno[3,4-d]thiazolo[3,2-a]pyridine-5-one-3-carboxylic acid methyl ester
  参考文献：
  名称：

  Directed diversity-oriented synthesis. Ring-fused 5- to 10-membered rings from a common peptidomimetic 2-pyridone precursor

  摘要：

  A variety of ring-fused 2-pyridone-based central fragments were prepared using a strategy inspired by diversity-oriented synthesis. The produced compounds are diverse, yet focused, analogs of biologically active peptidomimetic 2-pyridones. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.08.100

文献信息

• Directed diversity-oriented synthesis. Ring-fused 5- to 10-membered rings from a common peptidomimetic 2-pyridone precursor
  作者：Magnus Sellstedt、G. Krishna Prasad、K. Syam Krishnan、Fredrik Almqvist

  DOI：10.1016/j.tetlet.2012.08.100

  日期：2012.11

  A variety of ring-fused 2-pyridone-based central fragments were prepared using a strategy inspired by diversity-oriented synthesis. The produced compounds are diverse, yet focused, analogs of biologically active peptidomimetic 2-pyridones. (C) 2012 Elsevier Ltd. All rights reserved.