S-acetyl-3-thiopropyl alcohol | 115051-66-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 硫代羧酸及其衍生物
• 英文名称: S-acetyl-3-thiopropyl alcohol
• 英文别名: S-(3-Hydroxypropyl) ethanethioate
• CAS: 115051-66-6
• 化学式: C₅H₁₀O₂S
• 分子量: 134.199
• InChiKey: ADIJNQVLNHDJIF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  8
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  62.6
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 储存条件：
  室温

反应信息

• 作为反应物：
  描述：

  S-acetyl-3-thiopropyl alcohol 在 溶剂黄146 作用下， 生成 3-(乙酰氧基)丙烷-1-硫醇
  参考文献：
  名称：

  二硫醇。第十四部分。乙酰化非邻位羟基硫醇的碱性水解

  摘要：

  DOI：

  10.1039/jr9540001536
• 作为产物：
  描述：

  3-(乙酰基硫代)-丙酸甲酯 在 diborane(6) 作用下， 以 四氢呋喃 为溶剂， 反应 48.0h， 以63%的产率得到S-acetyl-3-thiopropyl alcohol
  参考文献：
  名称：

  Novel thiol-derivatized zinc(II) phthalocyanines

  摘要：

  Preparation and characterization of tetrasubstituted zinc(II) phthalocyanines in which sulfur is not linked to the macrocycle are reported herein for the first time. Thioacetic acid S-[3-(3,4-dicyano-phenoxy)-propyl]ester (4) was synthesized in 55% yield from 4-nitrophthalonitrile and thioacetic acid S-(3-hydroxypropyl)ester (3). Tetrasusbtituted thiol-derivatized zinc(II) phthalocyanine 5 was obtained from 4 and zinc acetate in the presence of 1,8-diazabicyclo[5.4.0]undec-7-ene in butanol. Treatment of 5 with sodium methoxide afforded phthalocyanine 6. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.02.201

文献信息

• Heteroatom-embedded Medium-Sized Cycloalkynes: Concise Synthesis, Structural Analysis, and Reactions
  作者：Runyan Ni、Naoto Mitsuda、Takeru Kashiwagi、Kazunobu Igawa、Katsuhiko Tomooka

  DOI：10.1002/anie.201409910

  日期：2015.1.19

  A variety of medium‐sized cycloalkynes were efficiently synthesized by the double Nicholas reaction of cobalt complex and bis(hetero)substituted acyclic compound. The alkyne moiety within the ring has a unique bent structure and high reactivity toward cycloaddition reactions. Furthermore, preparation of multifunctionalized alkynes was achieved by embedding the cycloalkyne within a peptide chain.

  通过钴配合物和双（杂）取代的无环化合物的双尼古拉斯反应，可以有效地合成各种中等大小的环炔烃。环中的炔烃部分具有独特的弯曲结构，并且对环加成反应具有很高的反应性。此外，通过将环炔嵌入肽链中来实现多功能化炔的制备。
• A Novel Method for the Synthesis of Thioacetates Using Benzyltriethyl­ammonium Tetrathiomolybdate and Acetic Anhydride
  作者：Srinivasan Chandrasekaran、Nasir Baig. R.B.、Sai Sudhir. V.

  DOI：10.1055/s-0028-1083517

  日期：——

  Herein we report a simple and efficient methodology for the synthesis of thioacetates using benzyltriethylammonium tetrathiomolybdate and acetic anhydride as the key reagents, starting from alkyl halides in a multistep, tandem reaction process. Its application in the synthesis of orthogonally protected cysteine and anomeric β-thioglycosides has also been demonstrated.

  本文报道了一种简便高效的硫代乙酸酯合成方法，以苄基三乙基铵四硫代钼酸盐和乙酸酐为关键试剂，从卤代烷出发，通过多步骤的串联反应进行合成。该方法已成功应用于正交保护的半胱氨酸和非对映异构体β-硫代糖苷的合成。
• Oxidative Decarboxylation Enables Chemoselective, Racemization-Free Esterification: Coupling of α-Ketoacids and Alcohols Mediated by Hypervalent Iodine(III)
  作者：Takeshi Nanjo、Natsuki Kato、Yoshiji Takemoto

  DOI：10.1021/acs.orglett.8b02466

  日期：2018.9.21

  α-ketoacid could be converted into a reactive acylating agent by treatment with hypervalent iodine(III) species, and in so doing, we discovered a novel decarboxylative acylation of alcohols that affords a variety of esters in excellent yields. The esterification has been applied to a sterol bearing a free carboxylic acid and shows unique chemoselectivity. The procedure is racemization-free and operates

  通过用高价碘（III）处理可以将α-酮酸转化为反应性酰化剂，这样做，我们发现了一种新型的醇脱羧酰化反应，该酯以优异的收率提供了各种酯。酯化反应已应用于带有游离羧酸的甾醇，并显示出独特的化学选择性。该程序无消旋，且在温和条件下运行。
• Flame-retardant aconitic acid-derived small molecules
  申请人：International Business Machines Corporation

  公开号：US10280287B2

  公开（公告）日：2019-05-07

  A flame-retardant aconitic acid-derived small molecule, a process for forming a flame-retardant polymer, and an article of manufacture comprising a material that contains a flame-retardant aconitic acid-derived small molecule are disclosed. The flame-retardant aconitic acid-derived small molecule can be synthesized from aconitic acid obtained from a bio-based source, and can have at least one phosphoryl or phosphonyl moiety with phenyl, allyl, or thioether substituents. The process for forming the flame-retardant polymer can include reacting an aconitic acid derivative with a flame-retardant phosphorus-based molecule to form a flame-retardant aconitic acid-derived small molecule, and combining the flame-retardant aconitic acid-derived small molecule with a polymer. The material in the article of manufacture can be a resin, adhesive, polymer, etc.

  公开了一种阻燃草酸衍生的小分子、形成阻燃聚合物的方法，以及包括含有阻燃草酸衍生小分子的材料的制造物品。阻燃草酸衍生的小分子可以从生物基源获得的草酸合成，并且可以具有至少一个磷酰或膦酰基团，其带有苯基、烯丙基或硫醚取代基。形成阻燃聚合物的方法可以包括将草酸衍生物与阻燃磷基分子反应以形成阻燃草酸衍生的小分子，并将阻燃草酸衍生的小分子与聚合物结合。制造物品中的材料可以是树脂、粘合剂、聚合物等。
• FLAME-RETARDANT VANILLIN-DERIVED SMALL MOLECULES
  申请人：International Business Machines Corporation

  公开号：US20180320076A1

  公开（公告）日：2018-11-08

  A flame-retardant vanillin-derived small molecule, a process for forming a flame-retardant polymer, and an article of manufacture comprising a material that contains the flame-retardant vanillin-derived small molecule are disclosed. The flame-retardant vanillin-derived small molecule can be synthesized from vanillin obtained from a bio-based source, and can have at least one phosphoryl or phosphonyl moiety with phenyl, allyl, or thioether substituents. The process for forming the flame-retardant polymer can include reacting a diol vanillin derivative and a flame-retardant phosphorus-based molecule to form the flame-retardant vanillin-derived small molecule, and binding the flame-retardant vanillin-derived small molecule to a polymer. The material in the article of manufacture can be flame-retardant, and contain the flame-retardant vanillin-derived small molecules. Examples of materials that can be in the article of manufacture can include resins, plastics, adhesives, polymers, etc.

  本文揭示了一种阻燃香草醛衍生的小分子、形成阻燃聚合物的方法，以及包含含有阻燃香草醛衍生小分子的材料的制品。阻燃香草醛衍生的小分子可以从生物基源获取的香草醛合成，可以具有至少一个磷酸酯或膦酸酯基团，带有苯基、烯丙基或硫醚取代基。形成阻燃聚合物的方法可以包括将二醇香草醛衍生物与阻燃磷基分子反应，形成阻燃香草醛衍生小分子，并将阻燃香草醛衍生小分子与聚合物结合。制品中的材料可以是阻燃的，并含有阻燃香草醛衍生小分子。制品中可能包含的材料包括树脂、塑料、粘合剂、聚合物等。