2,2'-Dimethyl-biphenyl-4-carbaldehyde | 873431-53-9

• 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: 2,2'-Dimethyl-biphenyl-4-carbaldehyde
• 英文别名: 3-Methyl-4-(2-methylphenyl)benzaldehyde；3-methyl-4-(2-methylphenyl)benzaldehyde
• CAS: 873431-53-9
• 化学式: C₁₅H₁₄O
• 分子量: 210.276
• InChiKey: DXIWZFBEFSZWFK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2,2'-Dimethyl-biphenyl-4-carbaldehyde 在 potassium phosphate 、 四(三苯基膦)钯 、 TEA 、 lithium cyclohexylisopropylamide 、 甲基磺酰氯 、 lithium bromide 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.65h， 生成 3-(3,5-Dichloro-phenyl)-5-[1-(2,2'-dimethyl-biphenyl-4-yl)-meth-(Z)-ylidene]-4-hydroxy-5H-furan-2-one
  参考文献：
  名称：

  Pulvinones as bacterial cell wall biosynthesis inhibitors

  摘要：

  Pulvin ones were synthesized (> 180) in arrays and evaluated as inhibitors of early stage cell wall biosynthesis enzymes MurA-MurD. Several pulvinones inhibited Mur enzymes with IC50's in the 1-10 mu g/mL range and demonstrated antibacterial activity against Gram-positive bacteria including methicillin-resistant Staphyloccus aureus, vancomycin-resistant Enterococcus faecalis, and penicillin-resistant Streptococcus pneumoniae. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.09.021
• 作为产物：
  描述：

  2-甲基苯硼酸 、 trifluoromethanesulfonic acid 4-formyl-2-methylphenyl ester 在 potassium phosphate 、 四(三苯基膦)钯 作用下， 以 1,4-二氧六环 为溶剂， 生成 2,2'-Dimethyl-biphenyl-4-carbaldehyde
  参考文献：
  名称：

  Pulvinones as bacterial cell wall biosynthesis inhibitors

  摘要：

  Pulvin ones were synthesized (> 180) in arrays and evaluated as inhibitors of early stage cell wall biosynthesis enzymes MurA-MurD. Several pulvinones inhibited Mur enzymes with IC50's in the 1-10 mu g/mL range and demonstrated antibacterial activity against Gram-positive bacteria including methicillin-resistant Staphyloccus aureus, vancomycin-resistant Enterococcus faecalis, and penicillin-resistant Streptococcus pneumoniae. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.09.021

文献信息

• Pulvinones as bacterial cell wall biosynthesis inhibitors
  作者：Schuyler Antane、Craig E. Caufield、William Hu、David Keeney、Pornpen Labthavikul、Koi Morris、Shaughnessy M. Naughton、Peter J. Petersen、Beth A. Rasmussen、Guy Singh、Youjun Yang

  DOI：10.1016/j.bmcl.2005.09.021

  日期：2006.1

  Pulvin ones were synthesized (> 180) in arrays and evaluated as inhibitors of early stage cell wall biosynthesis enzymes MurA-MurD. Several pulvinones inhibited Mur enzymes with IC50's in the 1-10 mu g/mL range and demonstrated antibacterial activity against Gram-positive bacteria including methicillin-resistant Staphyloccus aureus, vancomycin-resistant Enterococcus faecalis, and penicillin-resistant Streptococcus pneumoniae. (c) 2005 Elsevier Ltd. All rights reserved.