3-tert-Butylpentane-1,5-diol | 50635-65-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-tert-Butylpentane-1,5-diol
• 英文别名: 3-Tert-butyl-1,5-pentanediol
• CAS: 50635-65-9
• 化学式: C₉H₂₀O₂
• 分子量: 160.257
• InChiKey: VXNAGDZXOYQUIE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  11
• 可旋转键数：
  5
• 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-tert-Butylpentane-1,5-diol 在 sodiumsulfide nonahydrate 、 三乙胺 作用下， 以 乙醇 、 二氯甲烷 、 水 为溶剂， 反应 3.5h， 生成 4-t-butylthian
  参考文献：
  名称：

  立体电子效应：噻吩衍生化合物中的Perlin效应

  摘要：

  六元环亚甲基中的赤道和轴向氢原子显示不同的偶联常数（Perlin效应），取决于相邻的官能团。耦合常数受立体电子效应和碳的杂化影响。

  DOI：

  10.1002/ejoc.202000198
• 作为产物：
  描述：

  2-tert-butyl-1,3-dibromopropane 在 lithium aluminium tetrahydride 、 硫酸 作用下， 以 乙醚 、 乙醇 、 水 、 苯 为溶剂， 生成 3-tert-Butylpentane-1,5-diol
  参考文献：
  名称：

  Stereochemistry of chlorination of thiane 1-oxides

  摘要：

  DOI：

  10.1021/ja00803a037

文献信息

• Polyurethane prepolymers incorporating nonlinear short chain diols and/or soft diisocyanates compositions, and uses thereof
  申请人：PRC-DeSoto International, Inc.

  公开号：US11180604B2

  公开（公告）日：2021-11-23

  Polyurethane prepolymers having non-linear short chain diols and/or soft diisocyanates incorporated into the backbone are used to provide cured polyurethane coatings having a high hard segment content and low haze. The polyurethane prepolymers can also be used to improve the dispersion of filler in cured polyurethane compositions having a high filler loading. Cured coatings prepared from the two-part polyurethane systems meet the requirements for aerospace applications.

  聚氨酯预聚物的骨架中含有非线性短链二元醇和/或软性二异氰酸酯，可用于提供具有高硬段含量和低雾度的固化聚氨酯涂料。聚氨酯预聚物还可用于改善高填料含量的固化聚氨酯组合物中填料的分散性。由双组分聚氨酯体系制备的固化涂层可满足航空航天应用的要求。
• Oxidation of ketals to orthocarbonates: a double Baeyer-Villiger reaction
  作者：William F. Bailey、Mei Jue Shih

  DOI：10.1021/ja00370a068

  日期：1982.3
• Brinkmann, Thomas; Uzar, Horst C., Journal of the Chemical Society. Perkin Transactions 2 (2001), 2000, # 3, p. 527 - 530
  作者：Brinkmann, Thomas、Uzar, Horst C.

  DOI：——

  日期：——
• Cyclization of the 3-tert-butylhex-5-enyl radical: a test of transition-state structure
  作者：L. J. Beckwith Athelstan、Juerg Zimmerman

  DOI：10.1021/jo00020a019

  日期：1991.9
• Stereochemistry of the reversible cyclization of .omega.-formylalkyl radicals
  作者：A. L. J. Beckwith、K. D. Raner

  DOI：10.1021/jo00044a034

  日期：1992.8

  The reactions of 6-bromo-4-(1',1'-dimethylethyl)hexanal (4), 5-bromo-3-(1',1'-dimethylethyl)pentanal (11), and 5-bromo-4-(1',1'-dimethylethyl)pentanal (17) with tributylstannane have been investigated in detail. The major products are the debrominated aldehydes and cycloalkanols which arise from the cyclization of the intermediate omega-formylalkyl radicals. The stersochemical outcome of the cyclization of these radicals is dependent on the stannane concentration. At high concentrations of stannane the cyclization is essentially irreversible with the cycloalkoxy radicals being trapped before beta-scission can occur. Under these conditions the relative amount of cis and trans cycloalkanols formed are equal to the ratio of the rate constants for the two modes of cyclization; both 4 and 17 show a small preference for trans cyclization, but 11 gives equal amounts of the two diastereomers. When the stannane concentration is lowered, the lifetime of the cycloalkoxy radicals increases allowing beta-scission to occur. Thus, the cis and trans cycloalkoxy radicals approach a thermodynamic equilibrium which is reflected in the relative yields of the cis and trans cycloalkanols.