1-(5-hydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-6-yl)-3-phenylpropan-1-one | 55716-91-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 1-(5-hydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-6-yl)-3-phenylpropan-1-one
• 英文别名: 1-(5-hydroxy-2,2-dimethyl-chroman-6-yl)-3-phenyl-propan-1-one；1-(5-Hydroxy-2,2-dimethyl-chroman-6-yl)-3-phenyl-propan-1-on；1-(5-Hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-3-phenylpropan-1-one；1-(5-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-3-phenylpropan-1-one
• CAS: 55716-91-1
• 化学式: C₂₀H₂₂O₃
• 分子量: 310.393
• InChiKey: CYFBRFZTVYVOEN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(5-hydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-6-yl)-3-phenylpropan-1-one 、 2,4-二硝基苯肼 生成 1-(5-hydroxy-2,2-dimethyl-chroman-6-yl)-3-phenyl-propan-1-one-(2,4-dinitro-phenylhydrazone)
  参考文献：
  名称：

  Baudrenghien et al., Bulletin de la Classe des Sciences, Academie Royale de Belgique, 1953, vol. <5> 39, p. 105,117, 118

  摘要：

  DOI：
• 作为产物：
  描述：

  1-(5-羟基-2,2-二甲基苯并吡喃-6-基)-3-苯基丙-2-烯-1-酮 在 甲醇 、 镍 作用下， 生成 1-(5-hydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-6-yl)-3-phenylpropan-1-one
  参考文献：
  名称：

  Baudrenghien et al., Bulletin de la Classe des Sciences, Academie Royale de Belgique, 1953, vol. <5> 39, p. 105,117, 118

  摘要：

  DOI：

文献信息

• Semi-Synthesis of Dihydrochalcone Derivatives and Their<i>in Vitro</i>Antimicrobial Activities
  作者：Maurice Awouafack、Souvik Kusari、Marc Lamshöft、Dieudonne Ngamga、Pierre Tane、Michael Spiteller

  DOI：10.1055/s-0029-1240619

  日期：2010.4

  We describe the semi-synthesis of dihydrochalcone derivatives and their in vitro antimicrobial activities. These compounds were prepared by modifying two naturally occurring antimicrobial dihydrochalcones, erioschalcones A and B, reported by us earlier. The structures of the compounds were assigned on the basis of spectroscopic evidence and by comparing their physical and spectroscopic data with those reported in the literature. All the compounds were subjected to in vitro antimicrobial assays against a panel of pathogenic microorganisms, including gram-positive and gram-negative bacteria, and fungi. The antimicrobial efficacies of this class of compounds were established by correlating the activity profile of each compound with its structure and by comparing the activities of all the compounds with each other based on their structure. This should enable the development of other derivatives of the dihydrochalcone family that would serve as more potent antimicrobial agents against specific pathogens.

  我们介绍了二氢查尔酮衍生物的半合成及其体外抗菌活性。这些化合物是通过对我们早先报道的两种天然抗菌二氢查耳酮（erioschalcones A 和 B）进行改良而制备的。这些化合物的结构是根据光谱证据并将其物理和光谱数据与文献报道的数据进行比较后确定的。对所有化合物都进行了体外抗菌试验，试验对象是一组病原微生物，包括革兰氏阳性菌、革兰氏阴性菌和真菌。通过将每个化合物的活性特征与其结构相关联，并根据其结构比较所有化合物的活性，确定了这一类化合物的抗菌功效。这将有助于开发二氢查尔酮家族的其他衍生物，使其成为针对特定病原体的更有效的抗菌剂。
• Huls, Bulletin de la Classe des Sciences, Academie Royale de Belgique, 1953, vol. <5> 39, p. 1064,1074
  作者：Huls

  DOI：——

  日期：——