1-环己基-2-甲基丁-3-炔-2-醇 | 5035-27-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-环己基-2-甲基丁-3-炔-2-醇
• 英文名称: 1-Cyclohexyl-2-methylbut-3-yn-2-ol
• CAS: 5035-27-8；6941-10-2
• 化学式: C₁₁H₁₈O
• 分子量: 166.263
• InChiKey: RRNGHMGNTNAULY-UHFFFAOYSA-N

物化性质

• 沸点：
  703.2±60.0 °C(Predicted)
• 密度：
  1.23±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-环己基-2-甲基丁-3-炔-2-醇 、 乙酸酐 生成
  参考文献：
  名称：

  Synthesis and inhibitory activity of 4-alkynyl and 4-alkenylquinazolines: Identification of new scaffolds for potent EGFR tyrosine kinase inhibitors

  摘要：

  The present study identified several 4-alkynyl and 4-alkenylquinazolines that serve as novel and potent EGFR tyrosine kinase inhibitors. The IC50 values of these compounds are in the nanomolar range. In addition, the 4-(4-phenylbut-1-yl/en-yl)quinazolines provided scaffolds for potent enzyme inhibition. Chiral discrimination was observed to occur in one of the 4-alkynylquinazoline derivatives with the (R)-isomer being more than 150 times as potent as the (S)-isomer. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.08.020
• 作为产物：
  描述：

  环己基丙酮 、 Ethynylmagnesium chloride 以 四氢呋喃 为溶剂， 生成 1-环己基-2-甲基丁-3-炔-2-醇
  参考文献：
  名称：

  Synthesis and inhibitory activity of 4-alkynyl and 4-alkenylquinazolines: Identification of new scaffolds for potent EGFR tyrosine kinase inhibitors

  摘要：

  The present study identified several 4-alkynyl and 4-alkenylquinazolines that serve as novel and potent EGFR tyrosine kinase inhibitors. The IC50 values of these compounds are in the nanomolar range. In addition, the 4-(4-phenylbut-1-yl/en-yl)quinazolines provided scaffolds for potent enzyme inhibition. Chiral discrimination was observed to occur in one of the 4-alkynylquinazoline derivatives with the (R)-isomer being more than 150 times as potent as the (S)-isomer. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.08.020

文献信息

• US5128480A
  申请人：——

  公开号：US5128480A

  公开（公告）日：1992-07-07
• Synthesis and inhibitory activity of 4-alkynyl and 4-alkenylquinazolines: Identification of new scaffolds for potent EGFR tyrosine kinase inhibitors
  作者：Yasunori Kitano、Tsuyoshi Suzuki、Eiji Kawahara、Takahisa Yamazaki

  DOI：10.1016/j.bmcl.2007.08.020

  日期：2007.11

  The present study identified several 4-alkynyl and 4-alkenylquinazolines that serve as novel and potent EGFR tyrosine kinase inhibitors. The IC50 values of these compounds are in the nanomolar range. In addition, the 4-(4-phenylbut-1-yl/en-yl)quinazolines provided scaffolds for potent enzyme inhibition. Chiral discrimination was observed to occur in one of the 4-alkynylquinazoline derivatives with the (R)-isomer being more than 150 times as potent as the (S)-isomer. (c) 2007 Elsevier Ltd. All rights reserved.