3-bromo-5-(3-methylbutyloxy) phenol | 1217351-42-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-bromo-5-(3-methylbutyloxy) phenol
• 英文别名: 3-Bromo-5-(3-methylbutoxy)phenol；3-bromo-5-(3-methylbutoxy)phenol
• CAS: 1217351-42-2
• 化学式: C₁₁H₁₅BrO₂
• 分子量: 259.143
• InChiKey: FKMKPQLOZIARCU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  14
• 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：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-bromo-5-(3-methylbutyloxy) phenol 、 3-[(叔丁氧基)羰基]氨基-1-(甲磺酰氧基)丙烷 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以60%的产率得到
  参考文献：
  名称：

  Molecular design of small organic molecules based on structural information for a conformationally constrained peptide that binds to G-CSF receptor

  摘要：

  Based on structural information for a peptide (P8-2KAQ) that binds to granulocyte-colony stimulating factor receptor (G-CSFR), small ligands with a biaryl scaffold were designed and their binding affinities were evaluated. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.12.010
• 作为产物：
  描述：

  5-溴-1,3-苯二酚 、 1-溴代异戊烷 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以60%的产率得到3-bromo-5-(3-methylbutyloxy) phenol
  参考文献：
  名称：

  Molecular design of small organic molecules based on structural information for a conformationally constrained peptide that binds to G-CSF receptor

  摘要：

  Based on structural information for a peptide (P8-2KAQ) that binds to granulocyte-colony stimulating factor receptor (G-CSFR), small ligands with a biaryl scaffold were designed and their binding affinities were evaluated. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.12.010

文献信息

• Molecular design of small organic molecules based on structural information for a conformationally constrained peptide that binds to G-CSF receptor
  作者：Radwan El-Haggar、Ken Kamikawa、Kazuya Machi、Zhengmao Ye、Yuko Ishino、Takeshi Tsumuraya、Ikuo Fujii

  DOI：10.1016/j.bmcl.2009.12.010

  日期：2010.2

  Based on structural information for a peptide (P8-2KAQ) that binds to granulocyte-colony stimulating factor receptor (G-CSFR), small ligands with a biaryl scaffold were designed and their binding affinities were evaluated. (C) 2009 Elsevier Ltd. All rights reserved.