1-(2-Hex-1-ynylphenyl)-2,2-dimethylpropan-1-ol | 613666-94-7

• 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: 1-(2-Hex-1-ynylphenyl)-2,2-dimethylpropan-1-ol
• 英文别名: 1-(2-hex-1-ynylphenyl)-2,2-dimethylpropan-1-ol
• CAS: 613666-94-7
• 化学式: C₁₇H₂₄O
• 分子量: 244.377
• InChiKey: LGGSJEUKAYVGIO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 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-(2-Hex-1-ynylphenyl)-2,2-dimethylpropan-1-ol 在 silica gel 、 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 5.0h， 生成 2-Butyl-3-[2-(1-methoxy-2,2-dimethylpropyl)phenyl]naphthalene-1,4-dione
  参考文献：
  名称：

  Studies into diastereoselective Dötz benzannulations for the synthesis of axially chiral biaryls

  摘要：

  A series of racemic chiral ortho substituents on 1-phenythex-1-yne have been found to control the atroposelective formation of a biaryl from Dotz benzannulation with pentacarbonyl(methoxyphenylmethylene)chromium(0). The results show there is a subtle balance between the chiral ortho substituent controlling atroposelectivity with a dr 3-5:1 and allowing benzannulation to proceed in yields of 44-67%. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2003.08.096
• 作为产物：
  描述：

  叔丁基锂 、 2-己炔-1-苯甲醛 以 四氢呋喃 为溶剂， 反应 4.0h， 以41%的产率得到1-(2-Hex-1-ynylphenyl)-2,2-dimethylpropan-1-ol
  参考文献：
  名称：

  Studies into diastereoselective Dötz benzannulations for the synthesis of axially chiral biaryls

  摘要：

  A series of racemic chiral ortho substituents on 1-phenythex-1-yne have been found to control the atroposelective formation of a biaryl from Dotz benzannulation with pentacarbonyl(methoxyphenylmethylene)chromium(0). The results show there is a subtle balance between the chiral ortho substituent controlling atroposelectivity with a dr 3-5:1 and allowing benzannulation to proceed in yields of 44-67%. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2003.08.096

文献信息

• Studies into diastereoselective Dötz benzannulations for the synthesis of axially chiral biaryls
  作者：James C Anderson、John W Cran、N.Paul King

  DOI：10.1016/j.tetlet.2003.08.096

  日期：2003.10

  A series of racemic chiral ortho substituents on 1-phenythex-1-yne have been found to control the atroposelective formation of a biaryl from Dotz benzannulation with pentacarbonyl(methoxyphenylmethylene)chromium(0). The results show there is a subtle balance between the chiral ortho substituent controlling atroposelectivity with a dr 3-5:1 and allowing benzannulation to proceed in yields of 44-67%. (C) 2003 Elsevier Ltd. All rights reserved.