Acetic acid 3-(3-chloro-4-hydroxy-phenyl)-propyl ester | 704912-98-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: Acetic acid 3-(3-chloro-4-hydroxy-phenyl)-propyl ester
• CAS: 704912-98-1
• 化学式: C₁₁H₁₃ClO₃
• 分子量: 228.675
• InChiKey: ZORHSKGMRUANQE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.54
• 重原子数：
  15.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  46.53
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  Acetic acid 3-(3-chloro-4-hydroxy-phenyl)-propyl ester 在 吡啶 、 pyridinium hydrobromide perbromide 、 lithium perchlorate 作用下， 以 氯仿 为溶剂， 反应 3.0h， 生成 3-[3-(4-(3-acetyloxypropyl)-2-bromo-6-chlorophenoxy)-5-chloro-1-methoxy-4-oxocyclohexa-2,5-dienyl]propyl acetate
  参考文献：
  名称：

  Synthesis of verbenachalcone congeners and their biological assessment against activation of the NGF-mediated neurite outgrowth of PC12D cells’ activity

  摘要：

  Synthesis of the verbenachalcone derivatives 3-5 involving littorachalcone 2 from diaryl ether 7 enabled an SAR Study of enhancement activity against the NGF-mediated neurite outgrowth from PC12D cells. Littorachalcone 2 and o-deoxyverbenachalcone 5 showed similar activity to that of verbenachalcone 1. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.11.055
• 作为产物：
  描述：

  3-(4'-hydroxyphenyl)-1-propyl acetate 在 磺酰氯 作用下， 反应 5.0h， 以64%的产率得到Acetic acid 3-(3-chloro-4-hydroxy-phenyl)-propyl ester
  参考文献：
  名称：

  Synthesis of verbenachalcone congeners and their biological assessment against activation of the NGF-mediated neurite outgrowth of PC12D cells’ activity

  摘要：

  Synthesis of the verbenachalcone derivatives 3-5 involving littorachalcone 2 from diaryl ether 7 enabled an SAR Study of enhancement activity against the NGF-mediated neurite outgrowth from PC12D cells. Littorachalcone 2 and o-deoxyverbenachalcone 5 showed similar activity to that of verbenachalcone 1. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.11.055

文献信息

• Synthesis of Chroman Derivatives by the Ring Expansion Reaction of Spirodienones, and an Assessment of their Plant Growth Inhibition
  作者：Fuminao Doi、Taiga Ohara、Takahisa Ogamino、Keiko Higashinakasu、Koji Hasegawa、Shigeru Nishiyama

  DOI：10.1246/bcsj.77.2257

  日期：2004.12

  Lewis acid-promoted 1,2-shift rearrangement reactions of the spirodienones, generated by the anodic oxidation of phenol derivatives, provided corresponding chromans. In addition to steric repulsion...

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