methyl (E)-3-<(2R*,3S*)-2,3-dihydro-3-hydroxymethyl-7-methoxy-2-(3-methoxy-4-methoxymethoxyphenyl)-1-benzofuran-5-yl>propenoate | 118799-84-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 2-芳基苯并呋喃类黄酮
• 英文名称: methyl (E)-3-<(2R*,3S*)-2,3-dihydro-3-hydroxymethyl-7-methoxy-2-(3-methoxy-4-methoxymethoxyphenyl)-1-benzofuran-5-yl>propenoate
• 英文别名: methyl (E)-3-[(2R*,3S*)-2,3-dihydro-3-hydroxymethyl-7-methoxy-2-(3-methoxy-4-methoxymethoxyphenyl)-1-benzofuran-5-yl]propenoate；(E)-3-[(2S,3R)-3-Hydroxymethyl-7-methoxy-2-(3-methoxy-4-methoxymethoxy-phenyl)-2,3-dihydro-benzofuran-5-yl]-acrylic acid methyl ester
• CAS: 118799-84-1；215228-01-6
• 化学式: C₂₃H₂₆O₈
• 分子量: 430.455
• InChiKey: GSKFATONPQAULE-XWESUKGBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.08
• 重原子数：
  31.0
• 可旋转键数：
  9.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  92.68
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  methyl (E)-3-<(2R*,3S*)-2,3-dihydro-3-hydroxymethyl-7-methoxy-2-(3-methoxy-4-methoxymethoxyphenyl)-1-benzofuran-5-yl>propenoate 在 盐酸 作用下， 以 甲醇 为溶剂， 反应 2.0h， 以88%的产率得到methyl (E)-3-<(2R*,3S*)-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-hydroxymethyl-7-methoxy-1-benzofuran-5-yl>propenoate
  参考文献：
  名称：

  On the absolute structure of optically active neolignans containing a dihydrobenzo[b]furan skeleton

  摘要：

  Several optically pure neolignans containing a dihydrobenzo[b]furan skeleton were synthesized. Based on an X-ray crystallographic study and circular dichroism results, the absolute configurations of some naturally occurring neolignans, namely balanophonin (1), PGI(2) inducer (2), dehydrodiconiferyl alcohol-4-beta-D-glucoside (3), dehydroconiferyl alcohol (4) and 3',4-di-O-methyicedrusin (5) have been unambiguously established. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)00725-x
• 作为产物：
  描述：

  ((2S,3R)-7-methoxy-2-(3-methoxy-4-(methoxymethoxy)phenyl)-5-((E)-3-oxoprop-1-en-1-yl)-2,3-dihydrobenzofuran-3-yl)methyl (1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate 在 potassium cyanide 、 manganese(IV) oxide 、 potassium carbonate 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 5.5h， 生成 methyl (E)-3-<(2R*,3S*)-2,3-dihydro-3-hydroxymethyl-7-methoxy-2-(3-methoxy-4-methoxymethoxyphenyl)-1-benzofuran-5-yl>propenoate
  参考文献：
  名称：

  On the absolute structure of optically active neolignans containing a dihydrobenzo[b]furan skeleton

  摘要：

  Several optically pure neolignans containing a dihydrobenzo[b]furan skeleton were synthesized. Based on an X-ray crystallographic study and circular dichroism results, the absolute configurations of some naturally occurring neolignans, namely balanophonin (1), PGI(2) inducer (2), dehydrodiconiferyl alcohol-4-beta-D-glucoside (3), dehydroconiferyl alcohol (4) and 3',4-di-O-methyicedrusin (5) have been unambiguously established. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)00725-x

文献信息

• Antus, Sandor; Gottsegen, Agnes; Kolonits, Pal, Liebigs Annalen der Chemie, 1989, p. 593 - 594
  作者：Antus, Sandor、Gottsegen, Agnes、Kolonits, Pal、Wagner, Hildebert

  DOI：——

  日期：——