(2E)-4-(5-methylfuran-2-yl)-4-oxobut-2-enoic acid | 104804-41-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2E)-4-(5-methylfuran-2-yl)-4-oxobut-2-enoic acid
• 英文别名: trans 4-(5-methyl-2-furyl)-4-oxo-2-butenoic acid；(E)-4-(5-methylfuran-2-yl)-4-oxobut-2-enoic acid
• CAS: 104804-41-3
• 化学式: C₉H₈O₄
• 分子量: 180.16
• InChiKey: QQVPBWWENYKAGU-HWKANZROSA-N

物化性质

• 熔点：
  164-166 °C(Solv: water (7732-18-5))
• 沸点：
  340.3±42.0 °C(Predicted)
• 密度：
  1.275±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  67.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (2E)-4-(5-methylfuran-2-yl)-4-oxobut-2-enoic acid 在 sodium tetrahydroborate 、 manganese(ll) chloride 作用下， 以 甲醇 、 乙醇 为溶剂， 反应 48.5h， 生成 (2S,4R,1'S)-4-hydroxy-4-(5-methylfuran-2-yl)-2-[(1'-phenylethyl)amino]-butanoic acid
  参考文献：
  名称：

  Crystallisation induced asymmetric transformation (CIAT) in the synthesis of furoylalanines and furylcarbinols

  摘要：

  A new synthesis of enantiomerically highly enriched N-substituted furoylalanines has been developed. This process involves the combination of crystallisation induced asymmetric transformation (CIAT) and a conjugate addition of N-nucleophiles to furoylacrylic acids. Further transformations to furoylalanines and substituted furylcarbinols are also described. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2006.04.024
• 作为产物：
  描述：

  5-甲基-2-乙酰基呋喃 在 potassium hydrogensulfate 作用下， 以 水 、 甲苯 为溶剂， 反应 14.5h， 生成 (2E)-4-(5-methylfuran-2-yl)-4-oxobut-2-enoic acid
  参考文献：
  名称：

  Crystallisation induced asymmetric transformation (CIAT) in the synthesis of furoylalanines and furylcarbinols

  摘要：

  A new synthesis of enantiomerically highly enriched N-substituted furoylalanines has been developed. This process involves the combination of crystallisation induced asymmetric transformation (CIAT) and a conjugate addition of N-nucleophiles to furoylacrylic acids. Further transformations to furoylalanines and substituted furylcarbinols are also described. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2006.04.024

文献信息

• Therapeutical compositions containing derivatives of, acrylic acid
  申请人：Roussel UCLAF

  公开号：US04694019A1

  公开（公告）日：1987-09-15

  The present invention relates to therapeutic compositions for the treatment of gastric disorders, said compositions containing a compound of the formula ##STR1## in which R is a mono- or poly-cyclic heterocyclic radical, possibly substituted, containing an oxygen atom, R' is a hydrogen atom or a linear, branched or cyclic alkyl radical, saturated or unsaturated, containing up to 18 carbon atoms, and, either A represents a hydrogen atom and B represents a hydroxyl radical or A and B together form a carbon-carbon double bond, as well as the pharmaceutically acceptable alkaline, alkaline-earth or amine salts thereof.

  本发明涉及治疗胃疾病的治疗组合物，所述组合物含有式中的化合物：##STR1## 其中R是一种单环或多环杂环基团，可能被取代，含有一个氧原子，R'是氢原子或线性、支链或环状烷基基团，饱和或不饱和，含有多达18个碳原子，而A代表氢原子，B代表羟基基团，或A和B共同形成一个碳-碳双键，以及其药学上可接受的碱性、碱土金属或胺盐。
• Therapeutic compositions containing derivatives of acrylic acid having
  申请人：Roussel Uclaf

  公开号：US04814348A1

  公开（公告）日：1989-03-21

  The present invention relates to therapeutic compositions for the treatment of gastric disorders, said compositions containing a compound of the formula ##STR1## in which R is a mono- or poly-cyclic heterocyclic radical, possibly substituted, containing an oxygen atom, R' is a hydrogen atom or a linear, branched or cyclic alkyl radical, saturated or unsaturated, containing up to 18 carbon atoms, and, either A represents a hydrogen atom and B represents a hydroxyl radical or A and B together form a carbon-carbon double bond, as well as the pharmaceutically acceptable alkaline, alkaline-earth or amine salts thereof.

  本发明涉及治疗胃疾病的治疗组合物，所述组合物含有式为##STR1##的化合物，其中R是一个单环或多环杂环基团，可能被取代，含有一个氧原子，R'是氢原子或线性、支链或环状的饱和或不饱和烷基基团，含有多达18个碳原子，且A表示氢原子，B表示羟基基团，或A和B共同形成一个碳-碳双键，以及其药学上可接受的碱性、碱土金属或胺盐。
• Gastric anti-secretory, anti-ulcer and cytoprotective properties of substituted (E)-4-phenyl- and heteroaryl-4-oxo-2-butenoic acids
  作者：Mario Bianchi、Alina Butti、Yani Christidis、Jacques Perronnet、Fernando Barzaghi、Raffaele Cesana、Alberto Nencioni

  DOI：10.1016/0223-5234(88)90166-3

  日期：1988.1
• BIANCHI, M.;BARZAGHI, F.
  作者：BIANCHI, M.、BARZAGHI, F.

  DOI：——

  日期：——
• US4694019A
  申请人：——

  公开号：US4694019A

  公开（公告）日：1987-09-15