5-(3-oxo-1-butenyl)benzo[b]furan | 95353-43-8

• 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: 5-(3-oxo-1-butenyl)benzo[b]furan
• 英文别名: 4-(oxainden-5-yl)but-3-en-2-one；1-(Benzo[b]furan-5-yl)but-1-en3-one；4-(benzofuran-5-yl)but-3-en-2-one；4-(1-benzofuran-5-yl)but-3-en-2-one
• CAS: 95353-43-8
• 化学式: C₁₂H₁₀O₂
• 分子量: 186.21
• InChiKey: UTTMHNLCTUQYLR-UHFFFAOYSA-N

物化性质

• 沸点：
  328.3±17.0 °C(Predicted)
• 密度：
  1.156±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  30.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-(3-oxo-1-butenyl)benzo[b]furan 、 7-氨基-6-羟基-6,7,8,9-四氢-2,9A-二氮杂苯并[CD]薁-1(2H)-酮盐酸盐 在 三乙胺 、 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 19.0h， 生成
  参考文献：
  名称：

  BENZAZEPIN-2(1H)-ONE DERIVATIVES

  摘要：

  式(I)的化合物及其药用可接受的盐是β-2肾上腺素受体的激动剂。它们可用作家畜动物的饲料添加剂。

  公开号：

  US20080103130A1
• 作为产物：
  描述：

  2-[(E)-2-(4-butoxyphenyl)ethenyl]furan 以 二氯甲烷 为溶剂， 反应 3.0h， 以95%的产率得到5-(3-oxo-1-butenyl)benzo[b]furan
  参考文献：
  名称：

  Solvent-Dependent Photochemical Rearrangements of Ethers of Styrylheterocycles

  摘要：

  [GRAPHICS]Direct photolysis of p-RO(R = alkyl or aryl)-2-styrylfurans (1a-f), 2-styrylthiophenes (2a-f), and 2-styryl-N-methylpyrrole (3) in hydrated dichloromethane gives 5-(3-oxo-1-butenyl)benzo[b]furan (4), -thiophene (5), and N-methylpyrrole (6), respectively, in good isolated yields, However, photolysis of 1a,b,e and 2a,b,e in dehydrated benzene gives 5-(3-RO-1,3-butadienyl)benzo[b]furans (7a,b,e) and thiophenes (8a,b,e) in good yields, Photolysis of 7 and 8 in hydrated dichloromethane produces 4 and 5, respectively.

  DOI：

  10.1021/ol990828u

文献信息

• 5-[Substituted bicyclic aryl or heteroaryl]cyclohexane-1,3-dione
  申请人：ICI Australia Limited

  公开号：US04664693A1

  公开（公告）日：1987-05-12

  The invention concerns novel compounds of the formula I ##STR1## wherein: A is selected from CH and N; B is selected from oxygen, sulfur, CH.sub.2 and the group N-Z wherein Z is selected from the group consisting of hydrogen, alkyl, alkenyl, alkynyl, cycloalkyl, benzyl and substituted benzyl; X, which may be the same or different, and X.sup.1, which be the same or different, are selected from halogen, nitro, cyano, alkyl, substituted alkyl, hydroxy, alkoxy, substituted alkoxy, alkenyl, alkenyloxy, alkynyl, alkynyloxy, acyloxy, alkoxycarbonyl, alkylthio, alkylsulfinyl, alkylsulfonyl, sulfamoyl, substituted sulfamoyl, alkanoyloxy, benzyloxy, substituted benzyloxy, amino, substituted amino, and the groups formyl and alkanoyl and the oxime, imine and Schiff base derivatives thereof; R.sup.1 is selected from hydrogen, alkyl, alkenyl, alkynyl, substituted alkyl, alkylsulfonyl, arylsulfonyl, acyl and an inorganic or organic cation; R.sup.2 is selected from alkyl, substituted alkyl, alkenyl, haloalkenyl, alkynyl and haloalkynyl; R.sup.3 is selected from alkyl, fluoroalkyl, alkenyl, alkynyl, and phenyl; R.sup.4 is selected from hydrogen, halogen, alkyl, cyano and alkoxycarbonyl; n is 0 or an integer chosen from 1 to 4; and n.sup.1 is 0 or an integer chosen from 1 to 4. The compounds of the invention show herbicidal properties and plant growth regulating properties and in further embodiments the invention provides processes for the preparation of compounds of formula I, intermediates useful in the preparation of the compounds of formula I, compositions containing as active ingredient a compound of formula I, and herbicidal and plant growth regulating processes utilizing compounds of formula I.

  本发明涉及公式I的新化合物，其中： A选自CH和N； B选自氧、硫、CH2和N-Z组，其中Z选自氢、烷基、烯基、炔基、环烷基、苄基和取代苄基； X和X1可以相同也可以不同，选自卤素、硝基、氰基、烷基、取代烷基、羟基、烷氧基、取代烷氧基、烯基、烯氧基、炔基、炔氧基、酰氧基、烷氧羰基、烷基硫基、烷基亚砜基、烷基磺酰基、磺酰胺基、取代磺酰胺基、烷酰氧基、苄氧基、取代苄氧基、氨基、取代氨基，以及醛基和烷酰基及其肟、亚胺和Schiff碱衍生物； R1选自氢、烷基、烯基、炔基、取代烷基、烷基磺酰基、芳基磺酰基、酰基和无机或有机阳离子； R2选自烷基、取代烷基、烯基、卤代烯基、炔基和卤代炔基； R3选自烷基、氟烷基、烯基、炔基和苯基； R4选自氢、卤素、烷基、氰基和烷氧羰基； n为0或选自1到4的整数； n1为0或选自1到4的整数。 本发明的化合物具有除草和植物生长调节性能，另外，本发明还提供了制备公式I的化合物的方法，制备公式I的化合物的中间体，含有公式I的化合物作为活性成分的组合物，以及利用公式I的化合物的除草和植物生长调节过程。
• BENZAZEPIN-2(1H)-ONE DERIVATIVES
  申请人：Boyle Jessica

  公开号：US20080103130A1

  公开（公告）日：2008-05-01

  Compounds of formula (I) and pharmaceutically acceptable salts thereof are agonists at the beta-2 adrenoceptor. They are useful as feed additives for livestock animals.

  式(I)的化合物及其药用可接受的盐是β-2肾上腺素受体的激动剂。它们可用作家畜动物的饲料添加剂。
• Solvent-Dependent Photochemical Rearrangements of Ethers of Styrylheterocycles
  作者：Jin-Yi Wu、Jinn-Hsuan Ho、Shen-Min Shih、Tse-Lin Hsieh、Tong-Ing Ho

  DOI：10.1021/ol990828u

  日期：1999.10.1

  [GRAPHICS]Direct photolysis of p-RO(R = alkyl or aryl)-2-styrylfurans (1a-f), 2-styrylthiophenes (2a-f), and 2-styryl-N-methylpyrrole (3) in hydrated dichloromethane gives 5-(3-oxo-1-butenyl)benzo[b]furan (4), -thiophene (5), and N-methylpyrrole (6), respectively, in good isolated yields, However, photolysis of 1a,b,e and 2a,b,e in dehydrated benzene gives 5-(3-RO-1,3-butadienyl)benzo[b]furans (7a,b,e) and thiophenes (8a,b,e) in good yields, Photolysis of 7 and 8 in hydrated dichloromethane produces 4 and 5, respectively.