摩熵化学
数据库官网
小程序
打开微信扫一扫
首页 分子通 化学资讯 化学百科 反应查询 关于我们
请输入关键词

(S)-2-methylpentane-1,5-diol | 81155-93-3

中文名称
——
中文别名
——
英文名称
(S)-2-methylpentane-1,5-diol
英文别名
(2S)-2-methylpentane-1,5-diol
(S)-2-methylpentane-1,5-diol化学式
CAS
81155-93-3
化学式
C6H14O2
mdl
MFCD00971964
分子量
118.176
InChiKey
AAAWJUMVTPNRDT-LURJTMIESA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 沸点:
    229.9±8.0 °C(Predicted)
  • 密度:
    0.961±0.06 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    0.4
  • 重原子数:
    8
  • 可旋转键数:
    4
  • 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

点击查看最新优质反应信息

文献信息

  • Stereoselective Synthesis of Cyclohexanes via an Iridium Catalyzed (5 + 1) Annulation Strategy
    作者:Wasim M. Akhtar、Roly J. Armstrong、James R. Frost、Neil G. Stevenson、Timothy J. Donohoe
    DOI:10.1021/jacs.8b07776
    日期:2018.9.26
    An iridium catalyzed method for the synthesis of functionalized cyclohexanes from methyl ketones and 1,5-diols is described. This process operates by two sequential hydrogen borrowing reactions, providing direct access to multisubstituted cyclic products with high levels of stereocontrol. This methodology represents a novel (5 + 1) strategy for the stereoselective construction of the cyclohexane core
    描述了一种由甲基酮和 1,5-二醇合成官能化环己烷催化方法。该过程通过两个连续的借氢反应进行,可直接获得具有高度立体控制的多取代环状产物。这种方法代表了一种新颖的 (5 + 1) 策略,用于环己烷核心的立体选择性构建。
  • A Phosphine-Free Manganese Catalyst Enables Stereoselective Synthesis of (1 + <i>n</i>)-Membered Cycloalkanes from Methyl Ketones and 1,<i>n</i>-Diols
    作者:Akash Jana、Kuhali Das、Abhishek Kundu、Pradip Ramdas Thorve、Debashis Adhikari、Biplab Maji
    DOI:10.1021/acscatal.9b05567
    日期:2020.2.21
    Herein, we report the stereoselective synthesis of (1 + n)-membered cycloalkane from methyl ketone and 1,n-diol. A manganese(I) complex bearing a phosphine-free ligand catalyzed the reaction, which involved the formation of two C–C bonds via a sequence of intermolecular- and intramolecular-borrowing hydrogenation reactions. It produces 2 mol of water as the sole byproduct, making the process atom economical
    本文中,我们报道了由甲基酮和1,n-二醇立体选择性合成(1 + n)元环烷烃。带有无膦配体(I)配合物催化了该反应,该过程涉及通过一系列分子间和分子内借位的氢化反应形成两个CC键。它产生2摩尔的作为唯一的副产品,使该工艺原子经济且对环境无害。以非常高的选择性,以良好至优异的产率获得了多取代的环烷烃。通过高级DFT计算进行的全面机械分析合理化了对钳子的选择,并确定了这种有效转化过程中配体半合性的作用。
  • Stereoselective synthesis of alicyclic ketones: A hydrogen borrowing approach
    作者:Roly J. Armstrong、Wasim M. Akhtar、James R. Frost、Kirsten E. Christensen、Neil G. Stevenson、Timothy J. Donohoe
    DOI:10.1016/j.tet.2019.130680
    日期:2019.11
    A highly diastereoselective annulation strategy for the synthesis of alicyclic ketones from diols and pentamethylacetophenone is described. This process is mediated by a commercially available iridium(III) catalyst, and provides efficient access to a wide range of cyclopentane and cyclohexane products with high levels of stereoselectivity. The origins of diastereoselectivity in the annulation reaction
    描述了一种由二醇和五甲基苯乙酮合成脂环族酮的高度非对映选择性环化策略。该方法由可商购的(III)催化剂介导,可有效地获得各种具有高立体选择性的环戊烷环己烷产品。通过一系列控制实验探索了环空反应中非对映选择性的起源,这为如何控制新锻造环周围的每个立体中心提供了解释。
  • A hydrogen borrowing annulation strategy for the stereocontrolled synthesis of saturated aza-heterocycles
    作者:Anna E. R. Chamberlain、Kieran J. Paterson、Roly J. Armstrong、Heather C. Twin、Timothy J. Donohoe
    DOI:10.1039/d0cc00903b
    日期:——

    A hydrogen borrowing annulation strategy enables the stereocontrolled synthesis of C2, C3 and C4-substituted saturated aza-heterocycles.

    一种氢借位缩合策略实现了C2、C3和C4取代饱和氮杂环的立体控制合成。
  • Iridium-catalyzed asymmetric hydrogenation of racemic α-substituted lactones to chiral diols
    作者:Xiao-Hui Yang、Hai-Tao Yue、Na Yu、Yi-Pan Li、Jian-Hua Xie、Qi-Lin Zhou
    DOI:10.1039/c6sc04609f
    日期:——
    highly efficient iridium-catalyzed asymmetric hydrogenation of racemic α-substituted lactones via dynamic kinetic resolution. Using Ir-SpiroPAP (R)-1d as a catalyst, a wide range of chiral diols were prepared in a high yield (80–95%) with a high enantioselectivity (up to 95% ee) under mild reaction conditions. This protocol was used for enantioselective syntheses of (−)-preclamol and a chiral 2,5-disubstituted
    我们报告了一种通过动态动力学拆分对外消旋 α-取代内酯进行高效催化不对称氢化的方案。使用 Ir-SpiroPAP ( R ) -1d作为催化剂,在温和的反应条件下以高产率 (80–95%) 和高对映选择性(高达 95% ee)制备了多种手性二醇。该方案用于 (-)-preclamol 和手性 2,5-二取代四氢吡喃的对映选择性合成。
查看更多