3-(2-ethylphenyl)propan-1-ol | 854664-97-4

• 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: 3-(2-ethylphenyl)propan-1-ol
• 英文别名: 3-(2-ethyl-phenyl)-propan-1-ol
• CAS: 854664-97-4
• 化学式: C₁₁H₁₆O
• 分子量: 164.247
• InChiKey: HJTRWHIFTUYNML-UHFFFAOYSA-N

物化性质

• 沸点：
  265.5±9.0 °C(Predicted)
• 密度：
  0.971±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  3-(2-ethyl-phenyl)-acrylic acid 在 palladium on activated charcoal lithium aluminium tetrahydride 、 氢气 作用下， 以 四氢呋喃 为溶剂， 反应 20.0h， 生成 3-(2-ethylphenyl)propan-1-ol
  参考文献：
  名称：

  THERAPEUTIC FLUOROETHYLCYANO GUANIDINES

  摘要：

  本文披露了具有如本文所述的化学式的化合物。还披露了与之相关的治疗方法、组成和药物。

  公开号：

  US20080255230A1

文献信息

• SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS
  申请人：Chow Ken

  公开号：US20080255239A1

  公开（公告）日：2008-10-16

  Therapeutic compounds, and methods, compositions, and medicaments related thereto are disclosed herein.

  本文揭示了治疗化合物、方法、组合物和相关药物。
• Therapeutic fluoroethylcyano guanidines
  申请人：Allergan, Inc.

  公开号：US07884244B2

  公开（公告）日：2011-02-08

  Disclosed herein is compound having a formula as described herein. Therapeutic methods, compositions, and medicaments related thereto are also disclosed.

  本文披露了一种具有如下公式的化合物。同时还披露了与之相关的治疗方法、组合物和药物。
• Substituted fluoroethyl ureas as alpha 2 adrenergic agents
  申请人：Allergan, Inc.

  公开号：US07598417B2

  公开（公告）日：2009-10-06

  The present patent application is directed to novel fluoroethyl urea compounds and compositions and their therapeutic use in the treatment of pain and other conditions.

  本专利申请涉及新型氟乙基脲化合物和组合物，以及它们在治疗疼痛和其他疾病方面的治疗用途。
• Role of the CAI-1 Fatty Acid Tail in the <i>Vibrio cholerae</i> Quorum Sensing Response
  作者：Lark J. Perez、Wai-Leung Ng、Paul Marano、Karolina Brook、Bonnie L. Bassler、Martin F. Semmelhack

  DOI：10.1021/jm300908t

  日期：2012.11.26

  Quorum sensing is a mechanism of chemical communication among bacteria that enables collective behaviors. In V. cholerae, the etiological agent of the disease cholera, quorum sensing controls group behaviors including virulence factor production and biofilm formation. The major V. cholerae quorum-sensing system consists of the extracellular signal molecule called CAI-1 and its cognate membrane bound receptor called CqsS. Here, the ligand binding activity of CqsS is probed with structural analogues of the natural signal. Enabled by our discovery of a structurally simplified analogue of CAI-1, we prepared and analyzed a focused library. The molecules were designed to probe the effects of conformational and structural changes along the length of the fatty acid tail of CAI-1. Our results, combined with pharmacophore modeling, suggest a molecular basis for signal molecule recognition and receptor fidelity with respect to the fatty acid tail portion of CAI-1. These efforts provide novel probes to enhance discovery of antivirulence agents for the treatment of V. cholerae.
• QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT
  申请人：OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：EP0670831A1

  公开（公告）日：1995-09-13