(E)-3-(8-carboxy-3,4,6-trihydroxy-5-oxo-5H-benzocyclohepten-1-yl)-2-propenoic acid | 1271320-87-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: (E)-3-(8-carboxy-3,4,6-trihydroxy-5-oxo-5H-benzocyclohepten-1-yl)-2-propenoic acid
• 英文别名: crocipodin；1-[(E)-2-carboxyethenyl]-3,4,6-trihydroxy-5-oxobenzo[7]annulene-8-carboxylic acid
• CAS: 1271320-87-6；1025928-88-4
• 化学式: C₁₅H₁₀O₈
• 分子量: 318.24
• InChiKey: CCGIZYWIEOFOHE-OWOJBTEDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  152
• 氢给体数：
  5
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  N-甲基-N-(三甲基硅烷基)三氟乙酰胺 、 (E)-3-(8-carboxy-3,4,6-trihydroxy-5-oxo-5H-benzocyclohepten-1-yl)-2-propenoic acid 反应 0.17h， 生成
  参考文献：
  名称：

  Crocipodin, a benzotropolone pigment from the mushroom Leccinum crocipodium (Boletales)

  摘要：

  Crocipodin, an unusual benzotropolone pigment, has been isolated from the fruit bodies of the mushroom Leccinum crocipodium. Its structure was determined by spectroscopic methods, particularly 2D NMR spectroscopy. The structure was confirmed by total synthesis, starting from 4-bromocatechol and gallic acid. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.12.060
• 作为产物：
  描述：

  4-溴邻苯二酚 在 horseradish peroxidase type I 、 四丁基氯化铵 、 双氧水 、 palladium diacetate 、 三溴化硼 、 potassium carbonate 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 20.0h， 生成 (E)-3-(8-carboxy-3,4,6-trihydroxy-5-oxo-5H-benzocyclohepten-1-yl)-2-propenoic acid
  参考文献：
  名称：

  Crocipodin, a benzotropolone pigment from the mushroom Leccinum crocipodium (Boletales)

  摘要：

  Crocipodin, an unusual benzotropolone pigment, has been isolated from the fruit bodies of the mushroom Leccinum crocipodium. Its structure was determined by spectroscopic methods, particularly 2D NMR spectroscopy. The structure was confirmed by total synthesis, starting from 4-bromocatechol and gallic acid. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.12.060

文献信息

• US7288680B2
  申请人：——

  公开号：US7288680B2

  公开（公告）日：2007-10-30
• Crocipodin, a benzotropolone pigment from the mushroom Leccinum crocipodium (Boletales)
  作者：Lydia Kerschensteiner、Florian Löbermann、Wolfgang Steglich、Dirk Trauner

  DOI：10.1016/j.tet.2010.12.060

  日期：2011.2

  Crocipodin, an unusual benzotropolone pigment, has been isolated from the fruit bodies of the mushroom Leccinum crocipodium. Its structure was determined by spectroscopic methods, particularly 2D NMR spectroscopy. The structure was confirmed by total synthesis, starting from 4-bromocatechol and gallic acid. (C) 2010 Elsevier Ltd. All rights reserved.