1-(5-(4-chloro-2-nitrophenyl)furan-2-yl)-2-hydroxyethanone | 1225302-01-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(5-(4-chloro-2-nitrophenyl)furan-2-yl)-2-hydroxyethanone
• 英文别名: 1-[5-(4-Chloro-2-nitrophenyl)furan-2-yl]-2-hydroxyethanone；1-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-2-hydroxyethanone
• CAS: 1225302-01-1
• 化学式: C₁₂H₈ClNO₅
• 分子量: 281.652
• InChiKey: NWNYLJWEYXCLDJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  96.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-(5-(4-chloro-2-nitrophenyl)furan-2-yl)-2-hydroxyethanone 在 sodium tetrahydroborate 、 水 作用下， 以 甲醇 为溶剂， 以95%的产率得到1-(5-(4-chloro-2-nitrophenyl)furan-2-yl)ethane-1,2-diol
  参考文献：
  名称：

  Substituent effects on the stereochemical outcome of the baker’s yeast-mediated biotransformation of α-hydroxy- and α-acetoxymethyl-5-phenylfuran-2-yl-ethanones

  摘要：

  In this Letter the baker's yeast-mediated biotransformation of variously substituted alpha-hydroxy- and alpha-acetoxymethyl-5-phenylfuran-2-yl-ethanones is described. The stereochemical outcome of the reactions was strongly influenced by the nature of the substituents on the phenyl ring. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2010.02.004
• 作为产物：
  描述：

  2-(5-(4-chloro-2-nitrophenyl)furan-2-yl)-2-oxoethyl acetate 在 Candida antarctica lipase B 作用下， 以 乙醇 为溶剂， 以97%的产率得到1-(5-(4-chloro-2-nitrophenyl)furan-2-yl)-2-hydroxyethanone
  参考文献：
  名称：

  Substituent effects on the stereochemical outcome of the baker’s yeast-mediated biotransformation of α-hydroxy- and α-acetoxymethyl-5-phenylfuran-2-yl-ethanones

  摘要：

  In this Letter the baker's yeast-mediated biotransformation of variously substituted alpha-hydroxy- and alpha-acetoxymethyl-5-phenylfuran-2-yl-ethanones is described. The stereochemical outcome of the reactions was strongly influenced by the nature of the substituents on the phenyl ring. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2010.02.004

文献信息

• Substituent effects on the stereochemical outcome of the baker’s yeast-mediated biotransformation of α-hydroxy- and α-acetoxymethyl-5-phenylfuran-2-yl-ethanones
  作者：László Csaba Bencze、Csaba Paizs、Monica Ioana Toşa、Florin Dan Irimie

  DOI：10.1016/j.tetasy.2010.02.004

  日期：2010.3

  In this Letter the baker's yeast-mediated biotransformation of variously substituted alpha-hydroxy- and alpha-acetoxymethyl-5-phenylfuran-2-yl-ethanones is described. The stereochemical outcome of the reactions was strongly influenced by the nature of the substituents on the phenyl ring. (C) 2010 Elsevier Ltd. All rights reserved.