1-[3-[1-(tetrahydro-2H-2-pyranyloxy)propyl]-2-thienyl]-1-hydroxymethyl acetate | 908239-80-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-[3-[1-(tetrahydro-2H-2-pyranyloxy)propyl]-2-thienyl]-1-hydroxymethyl acetate
• 英文别名: [3-[1-(Oxan-2-yloxy)propyl]thiophen-2-yl]methyl acetate
• CAS: 908239-80-5
• 化学式: C₁₅H₂₂O₄S
• 分子量: 298.403
• InChiKey: XMWJWGJSIHCQMU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  73
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

• NOVEL THIOPHENE COMPOUND AND PROCESS FOR PRODUCING CAFFENOFURAN OR ANALOGUE THEREOF FROM THE SAME
  申请人：SAN-EI GEN F.F.I., INC.

  公开号：EP1854791A1

  公开（公告）日：2007-11-14

  The present invention provides a novel thiophene compound as a synthetic intermediate that is useful for efficient production of kahweofuran or an analogue thereof. The present invention also provides a process for producing kahweofuran or an analogue thereof using the novel thiophene compound as an intermediate material. Of novel thiophene compounds represented by Formula (1): wherein R1 is a hydrogen atom or a C1-C4 lower alkyl group; R2 is a hydrogen atom or an alcohol-protecting group; R3 is a hydrogen atom, -COR4 or -C(OH)R5 (wherein R4 and R5 each represent a C1-C4, lower alkyl group); provided that when R2 and R3 are hydrogen atoms, R1 is not any of a hydrogen atom, methyl group, or n-propyl group; a thiophene compound represented by Formula (2) is reduced and cyclized in the presence of a transition metal catalyst to produce kahweofuran or kahweofuran analogue (3a) shown below: wherein R1 is a hydrogen atom or a C1-C4 lower alkyl group, and R4 is a C1-C4 lower alkyl group.

  本发明提供了一种新型噻吩化合物作为合成中间体，可用于高效生产加氢呋喃或其类似物。本发明还提供了一种以该新型噻吩化合物为中间体材料生产加氢呋喃或其类似物的工艺。 式（1）所代表的新型噻吩化合物： 其中 R1 是氢原子或 C1-C4 低级烷基；R2 是氢原子或醇保护基；R3 是氢原子、-COR4 或-C(OH)R5(其中 R4 和 R5 各自代表 C1-C4 低级烷基)；当 R2 和 R3 为氢原子时，R1 不是氢原子、甲基或正丙基中的任何一个； 式（2）代表的噻吩化合物在过渡金属催化剂存在下被还原和环化，生成下图所示的卡 韦呋喃或卡韦呋喃类似物（3a）： 其中 R1 是氢原子或 C1-C4 低级烷基，R4 是 C1-C4 低级烷基。
• Novel Thiophene Compound and Process for Producing Caffenofuran or Analogue Thereof from the Same
  申请人：Katsumura Shigeo

  公开号：US20080167481A1

  公开（公告）日：2008-07-10

  The present invention provides a novel thiophene compound as a synthetic intermediate that is useful for efficient production of kahweofuran or an analogue thereof. The present invention also provides a process for producing kahweofuran or an analogue thereof using the novel thiophene compound as an intermediate material. Of novel thiophene compounds represented by Formula (1): wherein R 1 is a hydrogen atom or a C 1 -C 4 lower alkyl group; R 2 is a hydrogen atom or an alcohol-protecting group; R 3 is a hydrogen atom, —COR 4 or —C(OH)R 5 (wherein R 4 and R 5 each represent a C 1 -C 4 lower alkyl group); provided that when R 2 and R 3 are hydrogen atoms, R 1 is not any of a hydrogen atom, methyl group, or n-propyl group; a thiophene compound represented by Formula (2) is reduced and cyclized in the presence of a transition metal catalyst to produce kahweofuran or kahweofuran analogue (3 a ) shown below: wherein R 1 is a hydrogen atom or a C 1 -C 4 lower alkyl group, and R 4 is a C 1 -C 4 lower alkyl group.
• US7897790B2
  申请人：——

  公开号：US7897790B2

  公开（公告）日：2011-03-01