4-(甲硫基)-2-氧代-1-丁醇 | 1003880-00-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 4-(甲硫基)-2-氧代-1-丁醇
• 英文名称: 4-(methylthio)-2-oxo-1-butanol
• 英文别名: 1-hydroxy-4-methylsulfanylbutan-2-one
• CAS: 1003880-00-9
• 化学式: C₅H₁₀O₂S
• 分子量: 134.199
• InChiKey: HFABMVXGFGEPKQ-UHFFFAOYSA-N

物化性质

• 沸点：
  252.6±20.0 °C(Predicted)
• 密度：
  1.121±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 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

反应信息

• 作为反应物：
  描述：

  4-(甲硫基)-2-氧代-1-丁醇 在 copper diacetate 氢氧化钾 、 氧气 、 硫酸 、 水 作用下， 以 水 为溶剂， 反应 2.0h， 以46%的产率得到液态羟基蛋氨酸
  参考文献：
  名称：

  WO2008/10609

  摘要：

  公开号：
• 作为产物：
  描述：

  在 盐酸 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 生成 4-(甲硫基)-2-氧代-1-丁醇
  参考文献：
  名称：

  Microwave-Assisted One-Carbon Chain Extension in the Preparation of Terminal α-Hydroxy Ketones

  摘要：

  The microwave-assisted synthesis of terminal -hydroxy ketones from acid chlorides and tris(trimethylsiloxy)ethylene in the presence of triethylamine is reported. The use of triethylamine had several advantages in the reaction: it increased the reactivity of the acid chloride, acted as a scavenger of the HCl that was produced in the reaction, protected the silylated enol from decomposition, and made the excess use of the silyl reagent unnecessary. Mechanistic effects of triethylamine are discussed. Effects of various base additives, reaction temperatures, reaction times, and solvents in the reaction are compared.

  DOI：

  10.1080/00397910802632589

文献信息

• [EN] METHOD FOR PRODUCING ALPHA-KETOALDEHYDE COMPOUND<br/>[FR] PROCÉDÉ DE PRODUCTION D'UN COMPOSÉ D'ALPHA-CÉTOALDÉHYDE
  申请人：SUMITOMO CHEMICAL CO

  公开号：WO2013018626A1

  公开（公告）日：2013-02-07

  An object of the present invention is to provide a new method for producing an ALPHA-ketoaldehyde compound from a 2-oxo-primary alcohol compound. The present invention provides a method for producing an ALPHA-ketoaldehyde compound including a step of oxidizing a 2-oxo-primary alcohol compound in the presence of platinum, a platinum compound, iron or an iron compound. The 2-oxo-primary alcohol compound is preferably a compound represented by the formula (1a), and the ALPHA-ketoaldehyde compound is preferably a compound represented by the formula (2a), wherein Ra is a C1-C6 alkyl group which may have a substituent or a C6-C20 aryl group which may have a substituent.

  本发明的一个目的是提供一种从2-氧代初级醇化合物制备ALPHA-酮醛化合物的新方法。本发明提供了一种制备ALPHA-酮醛化合物的方法，包括在铂、铂化合物、铁或铁化合物存在下氧化2-氧代初级醇化合物的步骤。2-氧代初级醇化合物最好是由式（1a）表示的化合物，而ALPHA-酮醛化合物最好是由式（2a）表示的化合物，其中Ra是一个可能带有取代基的C1-C6烷基基团或可能带有取代基的C6-C20芳基基团。
• [EN] PROCESS FOR PRODUCING ALPHA-HYDROXYKETONE COMPOUND<br/>[FR] PROCÉDÉ DE PRODUCTION DE COMPOSÉ ALPHA-HYDROXYCÉTONE
  申请人：SUMITOMO CHEMICAL CO

  公开号：WO2013157651A1

  公开（公告）日：2013-10-24

  An object of the present invention is to provide a new process for producing an α-hydroxyketone compound. The present invention relates to a process for producing an α-hydroxyketone compound comprising mixing at least hydrophobic solvent selected from the group consisting of an aromatic hydrocarbon solvent, an aliphatic hydrocarbon solvent, a halo-hydrocarbon solvent, and an ether solvent incompatible with water, a compound defined by the formula (1) wherein, R1 and R2 are each independently a hydrogen atom, an optionally substituted alkyl group; R3 is an optionally substituted alkyl group or an aryl group; and X- is an anion, a basic compound, formalin, and an aldehyde compound with 2 to 30 carbon atoms.

  本发明的一个目的是提供一种生产α-羟基酮化合物的新工艺。本发明涉及一种生产α-羟基酮化合物的工艺，包括将至少选择自芳香烃溶剂、脂肪烃溶剂、卤代烃溶剂和与水不相容的醚溶剂的疏水性溶剂，与化学式（1）所定义的化合物混合，其中，R1和R2各自独立地是氢原子、可选择取代的烷基团；R3是可选择取代的烷基团或芳基团；X-是阴离子、碱性化合物、甲醛和碳原子数为2到30的醛化合物。
• Preparation of alpha-hydroxy ketones via carbene-catalyzed umpolung reaction of aldehydes
  申请人：Jackstell Ralf

  公开号：US20080051608A1

  公开（公告）日：2008-02-28

  The present invention relates to the preparation of α-hydroxy ketones of the general formula I. In particular, the invention relates to novel imidazolinium carboxylate adducts and to a novel process for using catalytic amounts of imidazolium and imidazolinium carboxylate adducts in the acyloin reaction of aldehydes to prepare hydroxy ketones of the general formula I, where R and R′ are the same or different and are each H or a straight-chain or branched and optionally substituted C 1 -C 12 -alkyl radical, and R″═H 3 CSCH 2 CH 2 , t-butyl, n-butyl, sec-butyl, n-propyl, i-propyl, an optionally heteroatom-substituted C 6 -C 18 -aryl, heteroaryl, C 6 -C 18 -arylalkyl, especially phenylmethyl, where phenyl may again be heteroatom-substituted, or heteroalkyl.

  本发明涉及通式I的α-羟基酮的制备。特别是，本发明涉及新型咪唑啉酮酸盐加合物以及一种新的过程，该过程利用咪唑和咪唑啉酮酸盐加合物的催化量在醛的酰乙醇反应中制备通式I的羟基酮，其中R和R′相同或不同，每个都是H或直链或支链且可选择取代的C1-C12烷基基团，而R″=H3CSCH2CH2、叔丁基、正丁基、异丁基、正丙基、异丙基、可选择杂原子取代的C6-C18芳基、杂原子芳基、C6-C18芳基烷基，特别是苯甲基，其中苯可能再次被杂原子取代，或者杂原子烷基。
• PROCESS FOR PRODUCING ALPHA-HYDROXYKETONE COMPOUND
  申请人：Hagiya Koji

  公开号：US20130281709A1

  公开（公告）日：2013-10-24

  An object of the present invention is to produce an α-hydroxyketone compound easily and effectively. Provided is a process for producing an α-hydroxyketone compound comprising a stirring step of stirring one or more aldehyde compounds or polymers thereof in the presence of a base and an imidazolinium salt represented by the formula (1): wherein R 1 and R 2 each independently represent a hydrogen atom, an alkyl group optionally having a substituent or an aryl group optionally having a substituent, or R 1 and R 2 are bound to each other to form a ring together with carbon atoms to which they bind, R 3 and R 4 each independently represent an aryl group having one or more electron withdrawing groups, and X − represents an anion.

  本发明的目的是轻松有效地制备α-羟基酮化合物。提供了一种制备α-羟基酮化合物的方法，包括在碱和式（1）表示的咪唑啉盐存在下搅拌一种或多种醛化合物或其聚合物的搅拌步骤，其中R1和R2各自独立表示氢原子，具有取代基的烷基或具有取代基的芳基，或R1和R2彼此结合形成环，与它们结合的碳原子一起，R3和R4各自独立表示具有一个或多个电子吸引基团的芳基，X-表示阴离子。
• [EN] PROCESS FOR PRODUCING ALPHA-HYDROXYKETONE COMPOUND<br/>[FR] PROCÉDÉ DE PRODUCTION D'UN COMPOSÉ D'ALPHA-HYDROXYCÉTONE
  申请人：SUMITOMO CHEMICAL CO

  公开号：WO2010041767A1

  公开（公告）日：2010-04-15

  A process for producing an α-hydroxyketone compound, which comprises subjecting an aldehyde compound to a coupling reaction in the presence of an alkoxyimidazolidine compound represented by the formula (1) wherein Rｿ1? and Rｿ2? independently represent a hydrogen atom, etc., Rｿ3? and Rｿ4? independently represent a substituted or unsubstituted aryl group, etc. and Rｿ5? represents an alkyl group.

  一种生产α-羟基酮化合物的方法，包括在式（1）所表示的烷氧基咪唑啉化合物的存在下，将醛化合物进行偶联反应，其中R1和R2分别独立表示氢原子等，R3和R4分别独立表示取代或未取代的芳基等，而R5表示烷基。