ethyl 2-(4-l(-)-3,4-trans-2,2-dimethyl-3-phenyl-7-methoxychroman-4-yl)phenoxypropanoate | 1197209-37-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异黄酮类化合物
• 英文名称: ethyl 2-(4-l(-)-3,4-trans-2,2-dimethyl-3-phenyl-7-methoxychroman-4-yl)phenoxypropanoate
• 英文别名: ethyl 2-[4-[(3R,4R)-7-methoxy-2,2-dimethyl-3-phenyl-3,4-dihydrochromen-4-yl]phenoxy]propanoate
• CAS: 1197209-37-2
• 化学式: C₂₉H₃₂O₅
• 分子量: 460.57
• InChiKey: IZSCAYSAKPOQSZ-CACGZCQESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  34
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  54
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl 2-(4-l(-)-3,4-trans-2,2-dimethyl-3-phenyl-7-methoxychroman-4-yl)phenoxypropanoate 在 一水合肼 作用下， 反应 7.0h， 以84.57%的产率得到2-[4-(l(-)-trans-3,4-dihydro-2,2-dimethyl-3-phenyl-7-methoxybenzopyran-4-yl)phenoxy]propionic acid hydrazide
  参考文献：
  名称：

  Effect of side-chain alteration on hormonal activity of nonsteroidal estrogen antagonists

  摘要：

  Incorporation of novel side-chains in 3,4-diaryl chromans, an established nucleus present in the nonsteroidal estrogen antagonist centchroman, has been carried out. The effect of variation in the nature of the chain on relative binding affinity (RBA) to estrogen receptor, estrogenicity, and antiestrogenicity has been studied. Presence of hydrazide residue on cis- and trans-3,4-diaryl chromans led to relatively higher RBA and estrogenicity as compared with corresponding acids and esters.

  DOI：

  10.1007/s00044-009-9238-0
• 作为产物：
  描述：

  4-(4-hydroxyphenyl)-7-methoxy-2,2-dimethyl-3-phenyl-3,4-dihydrobenzopyran 、 2-溴丙酸乙酯 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 4.0h， 以73.04%的产率得到ethyl 2-(4-l(-)-3,4-trans-2,2-dimethyl-3-phenyl-7-methoxychroman-4-yl)phenoxypropanoate
  参考文献：
  名称：

  Effect of side-chain alteration on hormonal activity of nonsteroidal estrogen antagonists

  摘要：

  Incorporation of novel side-chains in 3,4-diaryl chromans, an established nucleus present in the nonsteroidal estrogen antagonist centchroman, has been carried out. The effect of variation in the nature of the chain on relative binding affinity (RBA) to estrogen receptor, estrogenicity, and antiestrogenicity has been studied. Presence of hydrazide residue on cis- and trans-3,4-diaryl chromans led to relatively higher RBA and estrogenicity as compared with corresponding acids and esters.

  DOI：

  10.1007/s00044-009-9238-0

文献信息

• Effect of side-chain alteration on hormonal activity of nonsteroidal estrogen antagonists
  作者：Sangita、Anila Dwivedi、Philip Prathipati、Suprabhat Ray

  DOI：10.1007/s00044-009-9238-0

  日期：2010.11

  Incorporation of novel side-chains in 3,4-diaryl chromans, an established nucleus present in the nonsteroidal estrogen antagonist centchroman, has been carried out. The effect of variation in the nature of the chain on relative binding affinity (RBA) to estrogen receptor, estrogenicity, and antiestrogenicity has been studied. Presence of hydrazide residue on cis- and trans-3,4-diaryl chromans led to relatively higher RBA and estrogenicity as compared with corresponding acids and esters.