5-propoxypentan-2-one | 101568-16-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-propoxypentan-2-one
• 英文别名: 5-propoxy-pentan-2-one；5-Propoxy-pentan-2-on；3-Acetyl-1-propyloxy-propane
• CAS: 101568-16-5
• 化学式: C₈H₁₆O₂
• 分子量: 144.214
• InChiKey: GRIUIUVDVPVHIR-UHFFFAOYSA-N

物化性质

• 沸点：
  78-80 °C(Press: 15 Torr)
• 密度：
  0.878±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  10
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-propoxypentan-2-one 生成 5-propoxy-pentan-2-one semicarbazone
  参考文献：
  名称：

  Sutton; Data, Journal of the American Pharmaceutical Association (1912), 1952, vol. 41, p. 328,331

  摘要：

  DOI：
• 作为产物：
  描述：

  丙醇 、 环丙甲基酮 在 copper(ll) bromide 作用下， 以 水 为溶剂， 反应 8.0h， 以73%的产率得到5-propoxypentan-2-one
  参考文献：
  名称：

  摘要：

  The possibility of the cleavage of the C-C bond in acetylcyclopropane (ACP) under the action of water or alcohols in the presence of copper or palladium salts was demonstrated for the first time. At 175-180 degreesC, the reactions proceeded regioselectively with the cleavage of the C(1)-C(2) bond in the cyclopropane ring. The reaction of ACP with water afforded 5-hydroxypentan-2-one, bis(3-acetylpropyl) ether, and furan compounds, whereas the reactions with alcohols proceeded selectively to form 5-alkoxypentan-2-ones. The yields of the latter depend on the nature and structure of the alcohol, the maximum values (98%) being achieved in the case of primary alcohols.

  DOI：

  10.1023/a:1014010907818

文献信息

• Enantioselective Hydrolysis of Functionalized 2,2-Disubstituted Oxiranes with Bacterial Epoxide Hydrolases
  作者：Andreas Steinreiber、Ingrid Osprian、Sandra F. Mayer、Romano V. A. Orru、Kurt Faber

  DOI：10.1002/1099-0690(200011)2000:22<3703::aid-ejoc3703>3.0.co;2-3

  日期：2000.11

  ether-oxygen to the stereogenic quaternary carbon center of the oxirane ring had a profound influence on the enantioselectivity, and several oxiranes were resolved with good to excellent selectivities. The enantiomerically enriched epoxides and vicinal diols thus obtained contain a useful “synthetic handle” in their side chain, which allows their use as building blocks in asymmetric synthesis.

  使用 11 种细菌菌株的环氧化物水解酶活性研究了带有各种氧官能团的 2,2-二取代环氧乙烷的生物水解。结果表明，活性和选择性强烈依赖于底物结构和生物催化剂。尽管具有游离羟基的底物没有被转化，但它们的类似物，被保护为醚，被广泛接受。这使得通过根据尺寸和极性正确选择醚组，可以方便地调制对映射性。发现醚-氧与环氧乙烷环的立体四元碳中心的距离对对映选择性有深远的影响，并且几种环氧乙烷以良好到极好的选择性分离。
• TARGETED NANOPARTICLES
  申请人：CALIFORNIA INSTITUTE OF TECHNOLOGY

  公开号：US20140249202A1

  公开（公告）日：2014-09-04

  Described herein are carrier nanoparticles comprising a polymer containing a polyol coupled to a polymer containing a boronic acid, configured to present the polymer containing a boronic acid to an environment external to the nanoparticle. Targeted versions of the described nanoparticles are also described, as are related compositions, methods and systems.

  本文描述了一种载体纳米颗粒，其中包含一个含有多元醇的聚合物，与一个含有硼酸的聚合物偶联，配置为将含有硼酸的聚合物呈现给纳米颗粒外部的环境。还描述了所述纳米颗粒的靶向版本，以及相关的组合物、方法和系统。
• NANOPARTICLES STABILIZED WITH NITROPHENYLBORONIC ACID COMPOSITIONS
  申请人：CALIFORNIA INSTITUTE OF TECHNOLOGY

  公开号：US20140249203A1

  公开（公告）日：2014-09-04

  Described herein are carrier nanoparticles comprising a polymer containing a polyol coupled to a polymer containing a boronic acid, configured to present the polymer containing a boronic acid to an environment external to the nanoparticle. Targeted versions of the described nanoparticles are also described, as are related compositions, methods and systems.

  本文描述了一种载体纳米颗粒，其中包含一个含有多元醇的聚合物和一个含有硼酸的聚合物，设计用于将含有硼酸的聚合物呈现给纳米颗粒外部的环境。还描述了所述纳米颗粒的定向版本，以及相关的组合物、方法和系统。
• Process for the production of an optically active alcohol and a novel
  申请人：Mitsubishi Gas Chemical Company

  公开号：US06103517A1

  公开（公告）日：2000-08-15

  A process for the production of R-configuration or S-configuration optically active alcohol having the formula (1), CH.sub.3 C*H(OH)(CH.sub.2).sub.m OC.sub.n H.sub.2n+1 (1) wherein m is an integer of 3 to 5, n is an integer of 1 to 3, and C* is an asymmetric carbon, and the formula (2), which comprises carrying out the optical resolution of the racemic alcohol, CH.sub.3 CH(OH)(CH.sub.2).sub.m OC.sub.n H.sub.2n+1 (2) wherein m is an integer of 3 to 5 and n is an integer of 1 to 3, into an R-configuration compound and S-configuration compound by the asymmetric trans-esterification thereof is provided in the presence of vinyl propionate as an esterifying agent and a lipase as a catalyst.

  本发明提供了一种制备具有公式（1）的R-构型或S-构型光学活性醇的方法，其中m为3至5的整数，n为1至3的整数，C*为不对称碳，公式（1）为CH.sub.3 C*H(OH)(CH.sub.2).sub.m OC.sub.n H.sub.2n+1（1），以及公式（2），其中m为3至5的整数，n为1至3的整数，公式（2）为CH.sub.3 CH(OH)(CH.sub.2).sub.m OC.sub.n H.sub.2n+1，通过不对称的转酯化反应，在乙烯基丙酸酯存在下，并以脂肪酶为催化剂，将混合物拆分成R-构型化合物和S-构型化合物。
• HETEROARYL COMPOUNDS AND USES THEREOF
  申请人：Singh Juswinder

  公开号：US20110224432A1

  公开（公告）日：2011-09-15

  The present invention provides compounds, pharmaceutically acceptable compositions thereof, and methods of using the same.

  本发明提供了化合物、其药学上可接受的组成物以及使用相同的方法。