glycerol 2-mono-n-butyl ether | 100078-36-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 甘油脂
• 英文名称: glycerol 2-mono-n-butyl ether
• 英文别名: 2-monobutyl glyceryl ether；2-monobutyl glycerol；2-butoxy-1,3-propanediol；2-Butoxypropane-1,3-diol
• CAS: 100078-36-2
• 化学式: C₇H₁₆O₃
• 分子量: 148.202
• InChiKey: QDIZFKSTWBPQQF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  10
• 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：
  49.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  glycerol 2-mono-n-butyl ether 、 4-氰基苯甲醛 生成 4-(5-butoxy-1,3-dioxan-2-yl)benzonitrile
  参考文献：
  名称：

  VORBRODT, H. -M.;DERESCH, S.;KRESSE, H.;WIEGELEBEN, A.;DEMUS, D.;ZASCHKE,+, J. PRAKT. CHEM., 1981, 323, N 6, 902-913

  摘要：

  DOI：
• 作为产物：
  描述：

  4-Hydroxymethyl-2-n-propyl-1,3-dioxolan 、 5-Hydroxy-2-n-propyl-1,3-dioxan 在 5%-palladium/activated carbon 氢气 作用下， 以 甘油 为溶剂， 200.0 ℃ 、6.89 MPa 条件下， 反应 2.0h， 生成 3-丁氧基丙烷-1,2-二醇 、 glycerol 2-mono-n-butyl ether
  参考文献：
  名称：

  PRODUCTION OF HYDROXY ETHER HYDROCARBONS BY LIQUID PHASE HYDROGENOLYSIS OF CYCLIC ACETALS OR CYCLIC KETALS

  摘要：

  将环丙二醛和环酮等缩醛类化合物进行液相氢解反应，将其送入反应区，在贵金属催化剂的存在下，在碳或硅基负载物上反应，高选择性地制备羟基醚单一碳氢化合物，无需使用含磷酸类酸或稳定剂如羟基苯酚。

  公开号：

  US20120330069A1

文献信息

• POLYOL ETHERS AND PROCESS FOR MAKING THEM
  申请人：Tulchinsky Michael L.

  公开号：US20100048940A1

  公开（公告）日：2010-02-25

  New polyol ether compounds and a process for their preparation. The process comprises reacting a polyol, a carbonyl compound, and hydrogen in the presence of hydrogenation catalyst, to provide the polyol ether. The molar ratio of polyol to carbonyl compound in the process is greater than 5:1.

  新的聚醚醇化合物及其制备方法。该方法包括在氢化催化剂存在下，使聚醇、羰基化合物和氢发生反应，从而提供聚醚醇。在该过程中，聚醇与羰基化合物的摩尔比大于5:1。
• Use of functionalized onium salts as a soluble support for organic synthesis
  申请人：Vaultier Michel

  公开号：US20070043234A1

  公开（公告）日：2007-02-22

  The invention relates to the use of a onium salt functionalized by at least one organic function, as a soluble support, in the presence of at least one organic solvent, for organic synthesis of a molecule, in a homogenous phase, by at least one transformation of said organic function. The onium salt enables the synthesized molecule to be released. The onium salt is present in liquid or solid form at room temperature and corresponds to formula A 1 + , X 1 − , wherein A 1 + represents a cation and X 1 − represents an anion.

  该发明涉及使用至少一个有机功能官能化的离子盐作为可溶性支持体，在至少一个有机溶剂的存在下，用于在均相相中通过至少一个所述有机功能的转化对分子进行有机合成。该离子盐使合成的分子能够被释放。该离子盐在室温下以液态或固态形式存在，符合以下公式A1+，X1−，其中A1+代表阳离子，X1−代表阴离子。
• [EN] TYK2 INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE TYK2 ET LEURS UTILISATIONS
  申请人：NIMBUS LAKSHMI INC

  公开号：WO2017040757A1

  公开（公告）日：2017-03-09

  The present invention provides compounds, compositions thereof, and methods of using the same for the inhibition of TYK2, and the treatment of TYK2-mediated disorders.

  本发明提供了化合物、其组合物以及使用这些化合物用于抑制TYK2和治疗TYK2介导的疾病的方法。
• Catalytic etherification of glycerol with short chain alkyl alcohols in the presence of Lewis acids
  作者：Fei Liu、Karine De Oliveira Vigier、Marc Pera-Titus、Yannick Pouilloux、Jean-Marc Clacens、Floryan Decampo、François Jérôme

  DOI：10.1039/c3gc36944g

  日期：——

  Here we report the homogeneously-catalyzed etherification of glycerol with short chain alkyl alcohols. Among the large variety of Brønsted and Lewis acids tested, we show here that metal triflates are not only the most active but are also capable of catalyzing this reaction with an unprecedented selectivity. In particular, in the presence of Bi(OTf)3, the targeted monoalkylglyceryl ethers were obtained with up to 70% yield. Although tested Brønsted acids were also capable of catalyzing the etherification of glycerol with alkyl alcohols, they were found however less active and less selective than Bi(OTf)3. By means of counter experiments, we highlighted that the high activity and selectivity of Bi(OTf)3 may rely on a synergistic effect between Bi(OTf)3 and triflic acid, a Brønsted acid that can be released by in situ glycerolysis of Bi(OTf)3. The scope of this methodology was also extended to other polyols and, in all cases, the monoalkylpolyol ethers were conveniently obtained with fair to good yields.

  我们报道了甘油与短链烷基醇在均相催化下的醚化反应。在测试了大量布朗斯特和路易斯酸后，我们发现金属三氟甲磺酸盐不仅是最活跃的催化剂，而且还能以前所未有的选择性催化这一反应。特别是，在Bi(OTf)3的存在下，目标单烷基甘油醚的产率高达70%。尽管测试的布朗斯特酸也能催化甘油与烷基醇的醚化反应，但它们的活性和选择性都低于Bi(OTf)3。通过对比实验，我们强调Bi(OTf)3的高活性和选择性可能依赖于Bi(OTf)3和三氟甲磺酸（一种可由Bi(OTf)3现场甘油分解释放的布朗斯特酸）之间的协同效应。这种方法的应用范围也扩展到其他多元醇，并且在所有情况下，单烷基多元醇醚都能以合理至良好的产率方便地获得。
• [EN] COMPOUNDS EFFECTIVE IN TREATING HEPATOTOXICITY AND FATTY LIVER DISEASES AND USES THEREOF<br/>[FR] COMPOSÉS EFFICACES POUR TRAITER L'HÉPATOTOXICITÉ ET DES STÉATOSES HÉPATIQUES, ET UTILISATIONS DE CEUX-CI
  申请人：SINEW PHARMA INC

  公开号：WO2017050298A1

  公开（公告）日：2017-03-30

  The present invention relates to compounds effective in treating hepatotoxicity and fatty liver diseases and uses thereof.

  本发明涉及用于治疗肝毒性和脂肪肝疾病的化合物及其用途。