4-苯基呋喃-3-羧酸乙酯 | 145839-20-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 呋喃
• 中文名称: 4-苯基呋喃-3-羧酸乙酯
• 英文名称: 4-phenylfuran-3-carboxylic acid ethyl ester
• 英文别名: ethyl-4-phenylfuran-3-carboxylate；ethyl-4-phenyl-3-furoate；ethyl 4-phenylfuran-3-carboxylate
• CAS: 145839-20-9
• 化学式: C₁₃H₁₂O₃
• 分子量: 216.236
• InChiKey: JFCGCHXUFUNBKF-UHFFFAOYSA-N

物化性质

• 沸点：
  342.0±35.0 °C(Predicted)
• 密度：
  1.126±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  39.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-苯基呋喃-3-羧酸乙酯 在 二异丁基氢化铝 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 1.0h， 生成 3-Hydroxymethyl-4-phenylfuran
  参考文献：
  名称：

  [EN] INDANE DERIVATES AS MUSCARINIC RECEPTOR AGONISTS
  [FR] DERIVES D'INDANE UTILISES COMME AGONISTES DU RECEPTEUR MUSCARINIQUE

  摘要：

  这项发明涉及到Formula I的化合物，这些化合物是M-1肌氨酸受体的激动剂。

  公开号：

  WO2005009941A1
• 作为产物：
  描述：

  4-苯基恶唑 、 苯丙炔酸乙酯 在 silica gel 作用下， 以 乙酸乙酯 为溶剂， 反应 20.0h， 生成 4-苯基呋喃-3-羧酸乙酯
  参考文献：
  名称：

  Indane derivates as muscarinic receptor agonists

  摘要：

  本发明涉及I式化合物：I，它们是M-1肌动蛋白受体的激动剂。

  公开号：

  US20070060587A1

文献信息

• Pharmaceutical compositions and method for administering 3 and
  申请人：Allergan, Inc.

  公开号：US05268387A1

  公开（公告）日：1993-12-07

  3 and 4-substituted 2(5H)-furanone compounds influence the balance between bone production and bone resorption in mammals, including humans. The active compounds are administered to mammals, including humans, in an effective dose which ranges between 0.05 to 100 mg per kilogram, body weight, per day, for the purpose of influencing the balance between bone production and bone resorption, and particularly for treating osteoporosis.

  3和4-取代的2(5H)-呋喃酮化合物影响哺乳动物，包括人类的骨生成和骨吸收之间的平衡。这些活性化合物以有效剂量（每公斤体重范围在0.05至100毫克之间）被用于哺乳动物，包括人类，旨在影响骨生成和骨吸收之间的平衡，特别用于治疗骨质疏松症。
• 3 and 5 alkyl and phenyl 4-(hydroxy or acyloxy)-alkyl substituted
  申请人：Allergan, Inc.

  公开号：US05451686A1

  公开（公告）日：1995-09-19

  Novel anti-inflammatory furanone compounds have the following formula: ##STR1## where R.sub.1 independently is H, or alkyl of 1 to 9 carbons and n is an integer having the values of 1 or 2, and where when n is 1 the R.sub.1 group is attached to the 5 position of the 2-furanone, when n is 2 then R.sub.1 is attached to both the 3 and 5 positions, with the proviso that when n is 1 then R.sub.1 is not H; Y.sub.1 is H, alkyl of 1 to 20 carbons, phenyl C.sub.1 -C.sub.20 alkyl, C.sub.1 -C.sub.20 alkenyl containing one or more olefinic bonds, where R.sub.3 is H, C.sub.1 -C.sub.20 alkyl, C.sub.1 -C.sub.20 alkenyl containing one or more olefinic bonds, phenyl, halogen substituted phenyl or C.sub.1 -C.sub.6 alkyl substituted phenyl, with the proviso that when Y.sub.1 is CO--OR.sub.3 or CONHR.sub.3 then R.sub.3 is not hydrogen; Y.sub.2 is H, an alkyl group of 1 to 25 carbons, or phenyl.

  新型抗炎烯酮化合物具有以下式：##STR1## 其中R.sub.1独立地是H，或者由1到9个碳组成的烷基，n是一个整数，其值为1或2，当n为1时，R.sub.1基附加在2-糠酮的5位，当n为2时，R.sub.1附加在3位和5位，但是当n为1时，R.sub.1不是H；Y.sub.1是H，由1到20个碳组成的烷基，苯基C.sub.1-C.sub.20烷基，含有一个或多个烯烃键的C.sub.1-C.sub.20烯基，其中R.sub.3是H，C.sub.1-C.sub.20烷基，含有一个或多个烯烃键的C.sub.1-C.sub.20烯基，苯基，卤素取代的苯基或C.sub.1-C.sub.6烷基取代的苯基，但是当Y.sub.1是CO--OR.sub.3或CONHR.sub.3时，R.sub.3不是氢；Y.sub.2是H，由1到25个碳组成的烷基，或苯基。
• Intermediates for preparing 4-substituted 2-5(H)-furanones as
  申请人：Allergan, Inc.

  公开号：US05171863A1

  公开（公告）日：1992-12-15

  Anti-inflammatory 4-substituted 2-furanones are made from intermediates having the formulas: ##STR1## in which R.sub.1, R.sub.2 and R.sub.3 independently are n-alkyl of 1 to 6 carbons, or branched chain alkyl of 1 to 6 carbons; X is H, OH, NH.sub.2, I or Br; R.sub.4 is H, alkyl of 1-20 carbons, phenyl[C.sub.1 -C.sub.20 alkyl], naphthyl[C.sub.1 -C.sub.20 alkyl], CH.sub.2 OH, CH.sub.2 NH.sub.2, CH.sub.2 CH.sub.2 OH, CH.sub.2 --CHO, CH.sub.2 --COOH or CH.sub.2 --COOR.sub.5, and R.sub.5 is alkyl of 1 to 6 carbons, with the proviso that when X is hydrogen then R.sub.4 is selected from the group consisting of CH.sub.2 OH, CH.sub.2 NH.sub.2, CH.sub.2 CH.sub.2 OH, CH.sub.2 --CHO, or CH.sub.2 --COOR.sub.5 ; ##STR2## in which R.sub.1, R.sub.2 R.sub.3 independently are n-alkyl of 1 to 6 carbons, or branched chain alkyl of 1 to 6 carbons, and R.sub.5 is alkyl of 1 to 6 carbons; ##STR3## in which R.sub.1, R.sub.2 and R.sub.3 independently are n-alkyl of 1 to 6 carbons, or branched chain alkyl of 1 to 6 carbons, and R.sub.6 is phenyl, or alkyl of 1 to 6 carbons, and ##STR4## in which R.sub.1, R.sub.2 and R.sub.3 independently are n-alkyl of 1 to 6 carbons, or branched chain alkyl of 1 to 6 carbons.

  抗炎4-取代2-呋喃酮是由中间体制备而成，其化学式如下：##STR1## 其中，R.sub.1、R.sub.2和R.sub.3独立地是1到6个碳的n-烷基，或者是1到6个碳的支链烷基；X是H、OH、NH.sub.2、I或Br；R.sub.4是H、1-20个碳的烷基、苯基[C.sub.1-C.sub.20烷基]、萘基[C.sub.1-C.sub.20烷基]、CH.sub.2 OH、CH.sub.2 NH.sub.2、CH.sub.2 CH.sub.2 OH、CH.sub.2 --CHO、CH.sub.2 --COOH或CH.sub.2 --COOR.sub.5，其中R.sub.5是1到6个碳的烷基，但是当X是氢时，R.sub.4的选择范围包括CH.sub.2 OH、CH.sub.2 NH.sub.2、CH.sub.2 CH.sub.2 OH、CH.sub.2 --CHO或CH.sub.2 --COOR.sub.5；##STR2## 其中，R.sub.1、R.sub.2和R.sub.3独立地是1到6个碳的n-烷基，或者是1到6个碳的支链烷基，而R.sub.5是1到6个碳的烷基；##STR3## 其中，R.sub.1、R.sub.2和R.sub.3独立地是1到6个碳的n-烷基，或者是1到6个碳的支链烷基，而R.sub.6是苯基或1到6个碳的烷基；##STR4## 其中，R.sub.1、R.sub.2和R.sub.3独立地是1到6个碳的n-烷基，或者是1到6个碳的支链烷基。
• 2- and 5-alkyl and phenyl substituted 4-(1-hydroxy, 1-acyloxy or
  申请人：Allergan, Inc.

  公开号：US05183906A1

  公开（公告）日：1993-02-02

  Novel anti-inflammatory furanone compounds have the following formula ##STR1## where R.sub.1 independently is H, phenyl, C.sub.1 -C.sub.6 alkyl substituted phenyl, halogen substituted phenyl, or alkyl of 1 to 6 carbons and n is an integer having the values of 1 or 2, and where when n is 1 the R.sub.1 group is attached either to the 3 or to the 5 position of the 2-furanone, when n is 2 then R.sub.1 is attached to both the 3 and 5 positions, with the proviso that when n is 1 then R.sub.1 is not H; Y.sub.1 is H, alkyl of 1 to 20 carbons, phenyl C.sub.1 -C.sub.20 alkyl, C.sub.1 -C.sub.20 alkenyl containing one or more olephinic bonds, PO(OH).sub.2, PO(OH)OR.sub.2, PO(OH)R.sub.2, PO(OR.sub.2).sub.2, where R.sub.2 is independently alkyl of 1 to 20 carbons, phenyl, or halogen substituted phenyl or C.sub.1 -C.sub.6 alkyl substituted phenyl, further Y.sub.1 is CO--R.sub.3, CO--OR.sub.3, CONHR.sub.3, SO.sub.2 R.sub.3, SO.sub.2 NHR.sub.3, (CH.sub.2).sub.p --O--R.sub.3, or (CH.sub.2).sub.p --O--(CH.sub.2).sub.m --O--R.sub.3, where p, and m, are integers and are independently 1 to 20 and R.sub.3 is H, C.sub.1 -C.sub.20 alkyl, C.sub.1 -C.sub.20 alkenyl containing one or more olephinic bonds, phenyl, halogen substituted phenyl or C.sub.1 -C.sub.6 alkyl substituted phenyl, with the proviso that when Y.sub.1 is CO--R.sub.3, CO--OR.sub.3, and CONHR.sub.3 then R.sub.3 is not hydrogen; Y.sub.2 is H, an alkyl group of 1 to 25 carbons, phenyl, naphthyl, phenyl (C.sub.1 -C.sub.20)alkyl-, naphthyl (C.sub.1 -C.sub.20)alkyl-, halogen substituted phenyl, C.sub.1 -C.sub.6 alkyl substituted phenyl, halogen substituted naphthyl, C.sub.1 -C.sub.6 substituted naphthyl; Y.sub.3 is H, alkyl of 1 to 20 carbons, CO--R.sub.4, CO--O--R.sub.4, CO--NH--R.sub.4, PO(OR.sub.4).sub.2 or PO(OR.sub.4)R.sub.4, where R.sub.4 independently is H, alkyl of 1 to 20 carbons, phenyl, or halogen substituted phenyl or C.sub.1 -C.sub.6 alkyl substituted phenyl.

  新型抗炎症呋喃酮类化合物的化学式如下：##STR1## 其中，R.sub.1独立地为H，苯基，C.sub.1-C.sub.6烷基取代的苯基，卤素取代的苯基，或1至6个碳的烷基，n为整数，取值为1或2，当n为1时，R.sub.1基团连接到2-呋喃酮的3或5位，当n为2时，R.sub.1连接到3和5位，但n为1时，R.sub.1不为H；Y.sub.1为H，1至20个碳的烷基，苯基C.sub.1-C.sub.20烷基，C.sub.1-C.sub.20烯基，含有一个或多个烯丙基键的PO(OH).sub.2，PO(OH)OR.sub.2，PO(OH)R.sub.2，PO(OR.sub.2).sub.2，其中R.sub.2独立地为1至20个碳的烷基，苯基，或卤素取代的苯基或C.sub.1-C.sub.6烷基取代的苯基，此外，当Y.sub.1为CO--R.sub.3，CO--OR.sub.3和CONHR.sub.3时，R.sub.3不为氢；Y.sub.2为H，1至25个碳的烷基，苯基，萘基，苯基(C.sub.1-C.sub.20)烷基，萘基(C.sub.1-C.sub.20)烷基，卤素取代的苯基，C.sub.1-C.sub.6烷基取代的苯基，卤素取代的萘基，C.sub.1-C.sub.6取代的萘基；Y.sub.3为H，1至20个碳的烷基，CO--R.sub.4，CO--O--R.sub.4，CO--NH--R.sub.4，PO(OR.sub.4).sub.2或PO(OR.sub.4)R.sub.4，其中R.sub.4独立地为H，1至20个碳的烷基，苯基，或卤素取代的苯基或C.sub.1-C.sub.6烷基取代的苯基。
• Intermediates and processes for preparing 4-substituted 2-5(H)-furanones
  申请人：Allergan, Inc.

  公开号：US05298633A1

  公开（公告）日：1994-03-29

  Anti-inflammatory 4-substituted 2-furanones are made from intermediates having the formulas: ##STR1##

  抗炎症的4-取代2-呋喃酮是由具有以下式子的中间体制成：##STR1##