4-乙基-4-庚醇 | 597-90-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 4-乙基-4-庚醇
• 英文名称: 4-Aethyl-heptanol-(4)
• 英文别名: 4-Ethyl-4-heptanol；4-ethylheptan-4-ol
• CAS: 597-90-0
• 化学式: C₉H₂₀O
• 分子量: 144.257
• InChiKey: GNROHGFUVTWFNG-UHFFFAOYSA-N

物化性质

• 熔点：
  6.15°C (estimate)
• 沸点：
  179.5°C
• 密度：
  0.8310

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  10
• 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：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-乙基-4-庚醇 在 盐酸 、 三氯化铝 作用下， 生成 4-ethyl-4-phenyl-heptane
  参考文献：
  名称：

  Halse, Journal fur praktische Chemie (Leipzig 1954), 1914, vol. <2>89, p. 452

  摘要：

  DOI：
• 作为产物：
  描述：

  4-庚酮 在 乙醚 、 镍 、 sodium amide 作用下， 生成 4-乙基-4-庚醇
  参考文献：
  名称：

  Sung, Annales de Chimie (Cachan, France), 1924, vol. <10>1, p. 364

  摘要：

  DOI：

文献信息

• Iridium-Catalyzed Regioselective Silylation of Secondary Alkyl C–H Bonds for the Synthesis of 1,3-Diols
  作者：Bijie Li、Matthias Driess、John F. Hartwig

  DOI：10.1021/ja5026479

  日期：2014.5.7

  Ir-catalyzed intramolecular silylation of secondary alkyl C-H bonds. (Hydrido)silyl ethers, generated in situ by dehydrogenative coupling of a tertiary or conformationally restricted secondary alcohol with diethylsilane, undergo regioselective silylation at a secondary C-H bond γ to the hydroxyl group. Oxidation of the resulting oxasilolanes in the same vessel generates 1,3-diols. This method provides a strategy

  我们报告了仲烷基 CH 键的 Ir 催化的分子内硅烷化。通过叔醇或构象受限仲醇与二乙基硅烷的脱氢偶联原位生成的（氢化）甲硅烷基醚在与羟基的仲 CH 键 γ 处发生区域选择性甲硅烷基化。在同一容器中氧化所得氧杂环戊烷生成 1,3-二醇。该方法提供了一种通过仲烷基 CH 键的羟基导向功能化合成 1,3-二醇的策略。机理研究表明，CH 键断裂是催化循环的周转限制步骤。二级 CH 键的这种硅烷化仅比初级 CH 键的类似硅烷化慢 40-50 倍。
• [EN] PROCESS<br/>[FR] PROCÉDÉ
  申请人：PHOSPHAGENICS LTD

  公开号：WO2018112512A1

  公开（公告）日：2018-06-28

  An efficient and commercial phosphorylation process of a complex alcohol, such as secondary and tertiary alcohols, with P4O10 at high temperatures, and a product obtained by the process.

  一种高效商业化的磷酸酯化过程，用于复杂醇类（如二级和三级醇），在高温下使用P4O10，以及该过程得到的产品。
• Cp2TiCl2-catalyzed grignard reactions. 3. Reactions with esters: Efficient methodology for the synthesis of secondary alcohols and for the reduction of esters to primary alcohols
  作者：Fumie Sato、Takamasa Jinbo、Masao Sato

  DOI：10.1016/s0040-4039(00)78990-8

  日期：1980.1

  Cp2TiCl2-catalyzed Grignard reactions with esters provide general methodology for preparation of secondary alcohols or for reduction of esters to the corresponding primary alcohols.

  Cp 2 TiCl 2催化的与酯的格氏反应为制备仲醇或将酯还原为相应的伯醇提供了通用方法。
• UV/VISIBLE-ABSORBING VINYLIC MONOMERS AND USES THEREOF
  申请人：Novartis AG

  公开号：US20170242274A1

  公开（公告）日：2017-08-24

  Described herein are UV-absorbing vinylic monomers and their uses in preparing UV-absorbing contact lenses capable of blocking ultra-violet (“UV”) radiation and violet radiation with wavelengths from 380 nm to 440 nm, thereby protecting eyes to some extent from damages caused by UV radiation and potentially from violet radiation.

  本文描述了UV吸收乙烯基单体及其在制备能够阻挡380纳米至440纳米波长的紫外辐射和紫外辐射的UV吸收隐形眼镜中的用途，从而在一定程度上保护眼睛免受紫外辐射和潜在的紫外辐射造成的损害。
• [EN] PROCESS FOR RECOVERING 3-METHYLBUT-3-EN-1-OL<br/>[FR] PROCÉDÉ POUR LA RÉCUPÉRATION DE 3-MÉTHYLBUT-3-EN-1-OL
  申请人：BASF SE

  公开号：WO2019030386A1

  公开（公告）日：2019-02-14

  The present invention relates to a process for recovering 3-methylbut-3-en-1 -ol from a feed stream F1 comprising 3-methylbut-3-en-1 -ol, one or more solvents, water, and isobutene, wherein 3-methylbut-3-en-1 -ol, the one or more solvents and water are separated from isobutene by distillation, the process comprising subjecting the feed stream F1 to distillation conditions in a distillation unit, obtaining a bottoms stream B1 which is enriched in -methylbut-3-en-1 -ol, in the one or more solvents and in water compared to the feed stream F1 subjec The present invention relates to a process for recovering 3-methylbut-3-en-1 -ol from a feed stream F1 comprising 3-methylbut-3-en-1 -ol, one or more solvents, water, and isobutene, wherein 3-methylbut-3-en-1 -ol, the one or more solvents and water are separated from isobutene by distillation, the process comprising subjecting the feed stream F1 to distillation conditions in a distillation unit, obtaining a bottoms stream B1 which is enriched in -methylbut-3-en-1 - ol, in the one or more solvents and in water compared to the feed stream F1 subjected to distillation conditions, and a top stream T1 which is enriched in isobutene, further subjecting the bottoms stream B1 to distillation conditions in a second distillation unit and obtaining a bottoms stream B2 which is enriched in 3-methylbut-3-en-1-ol compared to the bottoms stream B1 and a top stream T2 which is enriched in water compared to the bottoms stream B1, further subjecting the bottoms stream B2 to distillation conditions in a third distillation unit and obtaining a top stream T3 which is enriched in 3-methylbut-3-en-1-ol compared to the bottoms stream B2 and a bottoms stream B3. ted to distillation conditions, and a top stream T1 which is enriched in isobutene, further subjecting the bot- toms stream B1 to distillation conditions in a second distillation unit and obtaining a bottoms stream B2 which is enriched in 3-methylbut-3-en-1-ol compared to the bottoms stream B1 and a top stream T2 which is enriched in water compared to the bottoms stream B1, further subjecting the bottoms stream B2 to distillation conditions in a third distillation unit and obtaining a top stream T3 which is enriched in 3-methylbut-3-en-1-ol compared to the bottoms stream B2 and a bottoms stream B3.

  本发明涉及一种从含有3-甲基丁-3-烯-1-醇、一种或多种溶剂、水和异丁烯的进料流F1中回收3-甲基丁-3-烯-1-醇的方法，其中通过蒸馏将3-甲基丁-3-烯-1-醇、一种或多种溶剂和水与异丁烯分离，该方法包括将进料流F1在蒸馏单元中进行蒸馏条件处理，获得富含3-甲基丁-3-烯-1-醇、一种或多种溶剂和水的底流B1，相比于经蒸馏条件处理的进料流F1，以及富含异丁烯的顶流T1，进一步将底流B1在第二蒸馏单元中进行蒸馏条件处理，获得富含3-甲基丁-3-烯-1-醇的底流B2，相比于底流B1富含水的顶流T2，进一步将底流B2在第三蒸馏单元中进行蒸馏条件处理，获得富含3-甲基丁-3-烯-1-醇的顶流T3，相比于底流B2富含水的底流B3。

表征谱图