2-butyl-3-methyl-butane-1,4-diol | 408331-62-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2-butyl-3-methyl-butane-1,4-diol
• 英文别名: 2-Butyl-3-methyl-butan-1,4-diol；Heptane-2,3-dimethanol；2-butyl-3-methylbutane-1,4-diol
• CAS: 408331-62-4
• 化学式: C₉H₂₀O₂
• 分子量: 160.257
• InChiKey: QFEOGYJAWSBEFU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  11
• 可旋转键数：
  6
• 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：

  2-butyl-3-methyl-butane-1,4-diol 在 吡啶 作用下， 生成 2-butyl-3-methyl-buta-1,3-diene
  参考文献：
  名称：

  The Synthesis and Polymerization of Some 2-Methyl-3-alkyl-1,3-butadienes¹

  摘要：

  DOI：

  10.1021/ja01126a046
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 lithium aluminium tetrahydride 、 乙醚 作用下， 生成 2-butyl-3-methyl-butane-1,4-diol
  参考文献：
  名称：

  硫代丙烯酸烷基酯：它们的制备和聚合

  摘要：

  已经描述了硫代丙烯酸烷基酯的方便合成，并且已经表征了许多中间体以及酯。已发现这些酯在自由基条件下容易均聚，得到软化点高于相应丙烯酸酯聚合物的透明塑料。一般而言，硫醇丙烯酸酯容易与常见的乙烯基单体共聚。已发现与丁二烯共聚的反应性比为 r1（丁二烯）= 0.35 ± 0.01 和 r2（硫醇丙烯酸甲酯）= 0.20 ± 0.05。从 90/10 的进料比至 45% 的转化率制备的丁二烯甲基硫醇丙烯酸酯共聚物含有 18.1% 的合并硫醇丙烯酸甲酯。对复合和固化聚合物的测试表明，它的性能非常接近标准 GR-S，

  DOI：

  10.1002/pol.1956.120199106

文献信息

• Base‐Free Iron Catalyzed Transfer Hydrogenation of Esters Using EtOH as Hydrogen Source
  作者：Ronald A. Farrar‐Tobar、Bartosz Wozniak、Arianna Savini、Sandra Hinze、Sergey Tin、Johannes G. de Vries

  DOI：10.1002/anie.201810605

  日期：2019.1.21

  Herein, we report on the use of the iron pincer complex Iron‐MACHO‐BH, in the base‐free transfer hydrogenation of esters with EtOH as a hydrogen source. More than 20 substrates including aromatic and aliphatic esters and lactones were reduced affording the desired primary alcohols and diols with moderate to excellent isolated yields. It is also possible to reduce polyesters to the diols with this method

  在本文中，我们报道了在使用EtOH作为氢源的酯的无碱转移加氢中使用铁钳复合物Iron-MACHO-BH。还原了包括芳族和脂族酯和内酯在内的20多种底物，从而以中等至优异的分离产率提供了所需的伯醇和二醇。也可以通过这种方法将聚酯还原为二醇，从而实现一种新颖的塑料回收方式。还原可再生底物乙酰丙酸甲酯可直接形成1,4-戊二醇。收率主要由醇和乙酯之间的平衡决定。
• Stereoselective microbial reduction of a racemic tetralone
  申请人：Pfizer Products Inc.

  公开号：EP0997535A2

  公开（公告）日：2000-05-03

  The present invention relates to processes for carrying out the following stereoselective microbial reduction of a racemic tetralone: which comprises: contacting a compound of formula (I) with a microorganism, or an enzyme reduction system capable of accomplishing the subject reduction comprising an enzyme derived from said microorganism and a co-factor for said enzyme, and incubating the resulting mixture under conditions sufficient to yield the (4R) tetralol of formula (II) and to leave substantially unreacted the (4S) tetralone of formula (V) or "chiral tetralone." The chiral tetralone can be used in the synthesis of sertraline. The subject process further optionally comprises the separation of the (4S) tetralone of formula (V) from the (4R) tetralol of formula (II). The (4R) tetralol can be recycled to produce the compound of formula (I) and the subject process repeated to result in even more of the desired (4S) tetralone of formula (V).

  本发明涉及对外消旋四氢萘酮进行下述立体选择性微生物还原的工艺： 其中包括：将式(I)化合物与微生物或能够完成所述还原的酶还原系统接触，该酶还原系统包括衍生自所述微生物的酶和所述酶的辅助因子，并在足以产生式(II)的(4R)四萘酚和基本上不反应的式(V)的(4S)四萘酮或 "手性四萘酮 "的条件下培养所得混合物。手性四萘酮可用于合成舍曲林。该主题工艺还可选择包括将式（V）的（4S）四萘酮与式（II）的（4R）四萘醇分离。(4R)四萘酚可以回收利用来生产式(I)化合物，并重复上述工艺以获得更多所需的式(V)(4S)四萘酮。
• RADIKALISCH HÄRTBARE DENTALE ZUSAMMENSETZUNGEN
  申请人：VOCO GmbH

  公开号：EP3020360B1

  公开（公告）日：2019-05-08
• COLORED GEL COAT COMPOSITION AND ARTICLE
  申请人：Melnyk Thomas

  公开号：US20110086975A1

  公开（公告）日：2011-04-14

  Gel coat compositions and/or components thereof that have low viscosity characteristics while also incorporating relatively high molecular weight resin material. In representative embodiments, this is achieved by using a curable polyester resin with low polydispersity in the gel coat compositions and/or one or more components thereof. In preferred embodiments, such resin material is used to prepare one or more color components that can be readily blended with one or more other gel coat resin components to form gel coat compositions. These compositions can be cured to form gel coats. By blending the components according to recipes, a wide range of different gel coat compositions with custom color or other visual appearance can be prepared on demand from a limited inventory of color components.
• US5670696A
  申请人：——

  公开号：US5670696A

  公开（公告）日：1997-09-23