1-[(1E)-3,3-二甲氧基-1-丙烯-1-基]-2-甲氧基苯 | 433936-29-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 1-[(1E)-3,3-二甲氧基-1-丙烯-1-基]-2-甲氧基苯
• 英文名称: 1-(3,3-Dimethoxyprop-1-en-1-yl)-2-methoxybenzene
• 英文别名: 1-(3,3-dimethoxyprop-1-enyl)-2-methoxybenzene
• CAS: 433936-29-9
• 化学式: C₁₂H₁₆O₃
• 分子量: 208.257
• InChiKey: CJFBAIORUYSJHT-UHFFFAOYSA-N

物化性质

• 沸点：
  305.4±42.0 °C(Predicted)
• 密度：
  1.038±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-[(1E)-3,3-二甲氧基-1-丙烯-1-基]-2-甲氧基苯 在 盐酸 、 水 作用下， 反应 2.0h， 生成 2-甲氧基肉桂醛
  参考文献：
  名称：

  Novel Staphyloxanthin Inhibitors with Improved Potency against Multidrug Resistant Staphylococcus aureus

  摘要：

  Diapophytoene desaturase (CrtN) is a potential novel target for intervening in the biosynthesis of the virulence factor staphyloxanthin. In this study, 38 1,4-benzodioxan-derived CrtN inhibitors were designed and synthesized to overwhelm the defects of leading compound 4a. Derivative 47 displayed superior pigment inhibitory activity, better hERG inhibitory properties and water solubility, and significantly sensitized MRSA strains to immune clearance in vitro. Notably, 47 displayed excellent efficacy against pigmented S. aureus Newman, Mu50 (vancomycin-intermediate MRSA, VISA), and NRS271 (linezolid-resistant MRSA, LRSA) comparable to that of linezolid and vancomycin in vivo.

  DOI：

  10.1021/acsmedchemlett.7b00501
• 作为产物：
  描述：

  丙烯醛二甲缩醛 、 2-碘苯甲醚 在 potassium chloride 、 palladium diacetate 、 potassium carbonate 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 生成 1-[(1E)-3,3-二甲氧基-1-丙烯-1-基]-2-甲氧基苯
  参考文献：
  名称：

  Novel Staphyloxanthin Inhibitors with Improved Potency against Multidrug Resistant Staphylococcus aureus

  摘要：

  Diapophytoene desaturase (CrtN) is a potential novel target for intervening in the biosynthesis of the virulence factor staphyloxanthin. In this study, 38 1,4-benzodioxan-derived CrtN inhibitors were designed and synthesized to overwhelm the defects of leading compound 4a. Derivative 47 displayed superior pigment inhibitory activity, better hERG inhibitory properties and water solubility, and significantly sensitized MRSA strains to immune clearance in vitro. Notably, 47 displayed excellent efficacy against pigmented S. aureus Newman, Mu50 (vancomycin-intermediate MRSA, VISA), and NRS271 (linezolid-resistant MRSA, LRSA) comparable to that of linezolid and vancomycin in vivo.

  DOI：

  10.1021/acsmedchemlett.7b00501

文献信息

• Highly efficient and chemoselective acetalization and thioacetalization of aldehydes catalyzed by propylphosphonic anhydride (®T3P) at room temperature
  作者：John Kallikat Augustine、Agnes Bombrun、Wolfgang H.B. Sauer、Pujari Vijaykumar

  DOI：10.1016/j.tetlet.2012.07.052

  日期：2012.9

  Propylphosphonic anhydride (®T3P), a low toxic peptide coupling agent, has been demonstrated to be an efficient catalyst for the chemoselective acetalization and thioacetalization of aldehydes in the presence of ketones. Cyclic and acyclic acetals of diverse aldehydes were obtained in good to excellent yields at room temperature in the presence of a catalytic amount of T3P.

  丙膦酸酯（®T3P），一种低毒的肽偶联剂，已被证明是在酮存在下对醛进行化学选择性缩醛化和硫代缩醛化的有效催化剂。在催化量的T3P存在下，在室温下以良好或优异的收率获得了多种醛的环状和无环缩醛。
• Novel Staphyloxanthin Inhibitors with Improved Potency against Multidrug Resistant <i>Staphylococcus aureus</i>
  作者：Shuaishuai Ni、Baoli Li、Feifei Chen、Hanwen Wei、Fei Mao、Yifu Liu、Yixiang Xu、Xiaoxi Qiu、Xiaokang Li、Wenwen Liu、Linghao Hu、Dazheng Ling、Manjiong Wang、Xinyu Zheng、Jin Zhu、Lefu Lan、Jian Li

  DOI：10.1021/acsmedchemlett.7b00501

  日期：2018.3.8

  Diapophytoene desaturase (CrtN) is a potential novel target for intervening in the biosynthesis of the virulence factor staphyloxanthin. In this study, 38 1,4-benzodioxan-derived CrtN inhibitors were designed and synthesized to overwhelm the defects of leading compound 4a. Derivative 47 displayed superior pigment inhibitory activity, better hERG inhibitory properties and water solubility, and significantly sensitized MRSA strains to immune clearance in vitro. Notably, 47 displayed excellent efficacy against pigmented S. aureus Newman, Mu50 (vancomycin-intermediate MRSA, VISA), and NRS271 (linezolid-resistant MRSA, LRSA) comparable to that of linezolid and vancomycin in vivo.