3,3-dimethyl-pentane-1,4-diol | 81887-62-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3,3-dimethyl-pentane-1,4-diol
• 英文别名: 3,3-dimethyl-1,4-pentanediol；3,3-dimethylpentane-1,4-diol
• CAS: 81887-62-9
• 化学式: C₇H₁₆O₂
• 分子量: 132.203
• InChiKey: IYBKMQPSCYKLDV-UHFFFAOYSA-N

物化性质

• 沸点：
  209.3±8.0 °C(Predicted)
• 密度：
  0.947±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3,3-dimethyl-pentane-1,4-diol 在 草酰氯 、 二甲基亚砜 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 18.5h， 生成 ethyl-(E)-5,5-dimethyl-6-oxo-hept-2-enoate
  参考文献：
  名称：

  Samarium(II)-Mediated Reactions of γ,δ-Unsaturated Ketones. Cyclization and Fragmentation Processes

  摘要：

  [GRAPHICS]On treatment with samarium(II) iodide, gamma,delta-unsaturated ketones undergo very different processes depending upon the nature of the reaction conditions. Employing samarium(II) iodide and MeOH, functionalized syn-cyclopentanol products are obtained stereoselectively. Mechanistic studies suggest that this cyclization occurs via a sequential reduction/intramolecular aldol reaction. With samarium(II) iodide and HMPA, products of a 4-exo-trig cyclization and of an interesting fragmentation reaction are observed.

  DOI：

  10.1021/ol0260472
• 作为产物：
  描述：

  Alpha,Alpha-二甲基-γ-丁内酯 在 二异丁基氢化铝 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 反应 16.0h， 生成 3,3-dimethyl-pentane-1,4-diol
  参考文献：
  名称：

  Samarium(II)-Mediated Reactions of γ,δ-Unsaturated Ketones. Cyclization and Fragmentation Processes

  摘要：

  [GRAPHICS]On treatment with samarium(II) iodide, gamma,delta-unsaturated ketones undergo very different processes depending upon the nature of the reaction conditions. Employing samarium(II) iodide and MeOH, functionalized syn-cyclopentanol products are obtained stereoselectively. Mechanistic studies suggest that this cyclization occurs via a sequential reduction/intramolecular aldol reaction. With samarium(II) iodide and HMPA, products of a 4-exo-trig cyclization and of an interesting fragmentation reaction are observed.

  DOI：

  10.1021/ol0260472

文献信息

• A novel highly stereoselective synthesis of the A-ring of taxol via two aldol reactions
  作者：Yu Ding、Xiang-Rong Jiang

  DOI：10.1039/c39950001693

  日期：——

  An efficient, scalable route to the Taxol A-ring synthon is described; high stereoseiectivity and regioselectivity are achieved by means of an intermolecular Aldol addition and an intramolecular Aldol condensation.

  文中描述了通往紫杉醇A环合成物的有效且可扩展的路线；通过分子间醛缩加成和分子内醛缩合实现了高立体选择性及高区域选择性。
• Zaidlewicz, Marek; Sarnowski, Ryszard, Heterocycles, 1982, vol. 18, p. 281 - 284
  作者：Zaidlewicz, Marek、Sarnowski, Ryszard

  DOI：——

  日期：——
• ZAIDLEWICZ, M.;SARNOWSKI, R., HETEROCYCLES, 1982, 18, N ISSUE, 281-284
  作者：ZAIDLEWICZ, M.、SARNOWSKI, R.

  DOI：——

  日期：——
• FABRIC SOFTENING COMPOUND/COMPOSITION
  申请人：THE PROCTER & GAMBLE COMPANY

  公开号：EP0888424A1

  公开（公告）日：1999-01-07
• US20140273447A1
  申请人：——

  公开号：US20140273447A1

  公开（公告）日：2014-09-18