3-苄亚基-5-苯基-2,3-二氢呋喃-2-酮 | 4361-96-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氢呋喃
• 中文名称: 3-苄亚基-5-苯基-2,3-二氢呋喃-2-酮
• 英文名称: 5-phenyl-3-(phenylmethylene)-3H-furan-2-one
• 英文别名: 3-benzylidene-5-phenyl-3H-furan-2-one；α-Benzylidene-γ-phenyl-Δ^β,γ-butenolide；3-Benzyliden-5-phenylbut-4-enolid；3-Benzyliden-5-phenylbutenolid；3-Benzyliden-5-phenylfuran-2(3H)-on；2(3H)-Furanone, 3-benzylidene-5-phenyl-；(3Z)-3-benzylidene-5-phenylfuran-2-one
• CAS: 4361-96-0；53949-11-4
• 化学式: C₁₇H₁₂O₂
• 分子量: 248.281
• InChiKey: LISLDGCWYOIVSJ-PTNGSMBKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2932209090

反应信息

• 作为反应物：
  描述：

  3-苄亚基-5-苯基-2,3-二氢呋喃-2-酮 、 2-溴-4-甲基苯胺 在 溶剂黄146 作用下， 反应 26.0h， 以50%的产率得到3-benzylidene-1-(2-bromo-4-methylphenyl)-5-phenyl-1,3-dihydropyrrol-2-one
  参考文献：
  名称：

  Shape-based virtual screening, synthesis and evaluation of novel pyrrolone derivatives as antiviral agents against HCV

  摘要：

  A ligand-based approach was applied to screen in silico a library of commercially available compounds, with the aim to find novel inhibitors of the HCV replication starting from the study of the viral NS3 helicase. Six structures were selected for evaluation in the HCV subgenomic replicon assay and one hit was found to inhibit the HCV replicon replication in the low micromolar range. A small series of new pyrrolone compounds was designed and synthesised, and novel structures were identified with improved antiviral activity. (C) 2017 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2016.12.087
• 作为产物：
  描述：

  苯甲醛 、 3-苯丙烯溴酸酯 在 sodium acetate 、 乙酸酐 作用下， 反应 2.0h， 以35%的产率得到3-苄亚基-5-苯基-2,3-二氢呋喃-2-酮
  参考文献：
  名称：

  Shape-based virtual screening, synthesis and evaluation of novel pyrrolone derivatives as antiviral agents against HCV

  摘要：

  A ligand-based approach was applied to screen in silico a library of commercially available compounds, with the aim to find novel inhibitors of the HCV replication starting from the study of the viral NS3 helicase. Six structures were selected for evaluation in the HCV subgenomic replicon assay and one hit was found to inhibit the HCV replicon replication in the low micromolar range. A small series of new pyrrolone compounds was designed and synthesised, and novel structures were identified with improved antiviral activity. (C) 2017 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2016.12.087

文献信息

• Electronic absorption spectra of arylmethylene, ethylidene, and allylidene 3H-furan-2-one derivatives
  作者：A. Yu. Egorova、I. E. Kamneva

  DOI：10.1134/s1070363207080130

  日期：2007.8

  The electronic absorption spectra of 3H-furan-2-ones containing substituents with varied length of the conjugation chain in position C-3 of the heteroring are examined. The conclusions are made about the direction of the band shift depending on the structure and size of the conjugation system of the substituents.
• US20140261647A1
  申请人：——

  公开号：US20140261647A1

  公开（公告）日：2014-09-18
• DYE-SENSITIZED SOLAR CELL
  申请人：ADEKA CORPORATION

  公开号：US20140299191A1

  公开（公告）日：2014-10-09

  A dye-sensitized solar cell including a working electrode having a photocatalytic film, a counter electrode, and an electrolyte-containing layer or solid charge-transfer layer containing a basic compound, wherein the photocatalytic film includes an oxide semiconductor layer containing a dye compound represented by the following formula (1), wherein Y is an optionally substituted hydrocarbon group having 1 to 20 carbon atoms and having —CO—NR 4 — or —SO 2 —NR 4 — in the group, or a direct bond, Z is a conjugated group, R 1 , R 2 , and R 3 each represent an optionally substituted hydrocarbon group or an optionally substituted hydrocarbonoxy group, at least one of R 1 , R 2 , and R 3 is an optionally substituted hydrocarbonoxy group, and R 4 represents a hydrogen atom or an optionally substituted hydrocarbon group having 1 to 20 carbon atoms.
• CARRIER SYSTEM AND PHOTOELECTRIC CONVERSION DEVICE
  申请人：A D E K A (ADEKA CORPORATION

  公开号：US20150380171A1

  公开（公告）日：2015-12-31

  A carrier system carries at least one type of sensitizing dye described in (A) and at least one type of sensitizing dye described in (B): (A) a sensitizing dye having a π-conjugated group and at least one anchor group, wherein the π-conjugated group and every one of the anchor group(s) are connected by a spacer having at least one alkylene and having an atomicity of 5 to 20; and (B) a sensitizing dye having a π-conjugated group and at least one anchor group, wherein the π-conjugated group and at least one anchor group are connected by a direct bond or by a spacer having at least one alkylene and having an atomicity of 1 to 4. In (A) and (B), the spacer is composed of carbon atoms, or carbon atoms and oxygen atom(s) etc., under predetermined conditions (see Description), and may have a branched chain or a ring structure.
• NOVEL COMPOUND AND PHOTOELECTRIC CONVERSION DEVICE
  申请人：ADEKA CORPORATION

  公开号：US20160211085A1

  公开（公告）日：2016-07-21

  Disclosed is a novel compound represented by formula (1) below. In the formula, A represents an optionally substituted aromatic hydrocarbon ring or aromatic heterocyclic group, B represents a group including a chain of one to four pieces of one or more groups selected from groups represented by specific formulae (B-1) to (B-13) (such as —C═C— or —N═N—, specifically see the description), R1 to R3 each represent an optionally substituted hydrocarbon or hydrocarbonoxy group, at least one of R1 to R3 represents an optionally substituted hydrocarbonoxy group, R4 and R5 each represent an optionally substituted hydrocarbon group, R4 and R5 may be linked together to form a ring, and R4 and R5 may be each independently linked with A to form a ring.