(丁基硫代)乙酸 | 20600-61-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: (丁基硫代)乙酸
• 英文名称: 2-(butylthio)acetic acid
• 英文别名: n-Butylthioessigsaeure；butylthioacetic acid；(Butylthio)acetic acid；2-butylsulfanylacetic acid
• CAS: 20600-61-7
• 化学式: C₆H₁₂O₂S
• mdl: MFCD06208056
• 分子量: 148.226
• InChiKey: ILLCGAJCYFLVSV-UHFFFAOYSA-N

物化性质

• 沸点：
  282.2 °C(Press: 764 Torr)
• 密度：
  1.0771 g/cm3(Temp: 00 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  9
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.833
• 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：

  (丁基硫代)乙酸 在 三氯化磷 作用下， 生成 butylthioacetyl chloride
  参考文献：
  名称：

  Synthesis, spectral characterization, electrochemical properties and antimicrobial screening of sulfur containing acylferrocenes

  摘要：

  Several known and eight new sulfur containing acylferrocenes of the general formula FcCO(CH2)(n)SR (where Fc = ferrocenyl, n = 1 or 2 and R = alkyl, 4-bromobenzyl or 2,6-dichlorobenzyl group) were synthesized in order to test their in vitro antimicrobial activity against 11 bacterial and three fungal/yeast strains. It has been shown that only four of the 14 ketones are completely inactive at the tested dose, while the activities of the other ones were noteworthy. All new compounds were well characterized by IR and NMR spectral data, and their electrochemical properties were investigated by cyclic voltammetry. The X-ray crystal structures of two representative ketones are also presented. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2010.03.002
• 作为产物：
  描述：

  N-戊基-2-丁基硫代乙酰胺 在 硫酸 作用下， 反应 5.0h， 以60%的产率得到(丁基硫代)乙酸
  参考文献：
  名称：

  Gololobov, Yu. G.; Kruglik, L. I., Journal of Organic Chemistry USSR (English Translation), 1981, vol. 17, p. 764 - 765

  摘要：

  DOI：

文献信息

• The utility of vinyl ethers and vinyl esters in the Khand reaction. The value of vinyl esters as ethylene equivalents and a modified synthesis of (+)-taylorione as an example
  作者：William J. Kerr、Mark McLaughlin、Peter L. Pauson、Sarah M. Robertson

  DOI：10.1016/s0022-328x(01)00891-9

  日期：2001.7

  alkenes in the Khand cyclisation reaction has been studied. Although several vinyl ethers reacted to give the expected oxygenated cyclopentenone products, usually with good levels of regioselectivity, the use of vinyl esters was found to afford, as the major products, reduced cyclopentenones in which the carbon–oxygen bond had been cleaved. This unexpected reaction was developed into an alternative

  已经研究了Khand环化反应中各种氧化烯烃的行为。尽管几种乙烯基醚反应生成预期的含氧环戊烯酮产物，通常具有良好的区域选择性，但发现使用乙烯基酯作为主要产物，可以还原其中的碳氧键已断裂的还原的环戊烯酮。这种出乎意料的反应已发展为在Khand反应中使用乙烯气体的替代方法，并发现可用于多种炔烃底物。然后扩展该方法以形成合成天然产物（+）- taylorione（和（+）- nortaylorione）的关键步骤。
• PROCESS FOR PRODUCING ESTER COMPOUND
  申请人：Imazeki Shigeaki

  公开号：US20100324314A1

  公开（公告）日：2010-12-23

  PROBLEM To provide an environmentally-friendly method for producing industrially an ester compound. SOLUTION The present invention is a method for producing an ester compound which comprises subjecting a carboxylic acid and an alcohol to dehydration-condensation reaction using an involatile acid catalyst and then removing the residual acid catalyst by bringing a weak basic substance into contact with the residual acid catalyst.

  问题提供一种生产工业酯化合物的环保方法。 解决方案是一种生产酯化合物的方法，包括将羧酸和醇经过脱水缩合反应，使用一种不挥发的酸催化剂，然后通过将弱碱性物质与残留的酸催化剂接触来去除残留的酸催化剂。
• [EN] METHOD FOR THE MANUFACTURE OF ALKOXYSILYL-CONTAINING THIOCARBOXYLIC ACID ESTERS<br/>[FR] PROCÉDÉ DE FABRICATION D'ESTERS D'ACIDE THIOCARBOXYLIQUE CONTENANT DE L'ALKOXYSILYLE
  申请人：MOMENTIVE PERFORMANCE MAT INC

  公开号：WO2020223068A1

  公开（公告）日：2020-11-05

  There is provided herein a method for the manufacture of alkoxysilyl-containing thiocarboxylic acid ester which comprises reacting a thioester with a mercapto-functional alkoxy silane and/or an alkali metal salt, an alkaline earth metal salt, a trisubstituted ammonium salt of an alkoxysilyl-functional thiolate which uses economical and readily available reagents, avoids the use of phosgene or thionyl chloride reagents and produces byproducts that may be recycled.

  本文提供了一种制备含烷氧硅基硫代羧酸酯的方法，包括将硫酯与巯基功能烷氧硅烷和/或碱金属盐、碱土金属盐、烷氧硅基硫醇酸三取代铵盐反应，使用经济实惠且易得的试剂，避免使用光气或氯化硫酰试剂，并产生可循环利用的副产物。
• TASK SPECIFIC CHELATING IONIC LIQUIDS FOR REMOVAL OF METAL IONS FROM AQUEOUS SOLUTION VIA LIQUID/LIQUID EXTRACTION AND ELECTROCHEMISTRY
  申请人：Massachusetts Institute of Technology

  公开号：US20200030716A1

  公开（公告）日：2020-01-30

  Disclosed are methods of extracting metal ions using ionic liquids (ILs), IL complexes, and mixtures comprising an IL and a metal-chelating group. Also disclosed are IL complexes, and mixtures comprising an IL and a metal-chelating group.

  揭示了利用离子液体（ILs）、IL络合物和包含IL和金属螯合基团的混合物提取金属离子的方法。还揭示了IL络合物和包含IL和金属螯合基团的混合物。
• Sulfur‐Containing Ferrocenyl Alcohols and Oximes: New Promising Antistaphylococcal Agents
  作者：Danijela Ilić、Ivan Damljanović、Dragana Stevanović、Mirjana Vukićević、Polina Blagojević、Niko Radulović、Rastko D. Vukićević

  DOI：10.1002/cbdv.201200029

  日期：2012.10

  values were either under the 10 μg/ml MIC limit recognized to delimit efficient antimicrobials or were comparable to/lower than those of the used positive controls (tetracycline/nystatin). The most susceptible organism was found to be Staphylococcus aureus with MIC values even reaching 0.001 μg/ml. The presence of -CH(OH)(CH(2))(n)S- and -CH(=NOH)(CH(2))(n)S- (n=1 or 2) structural fragments seems to be essential

  一个小型图书馆，包含四个不同系列的新二茂铁衍生物，2-（烷基硫烷基）-1-二茂铁基乙烷-1-醇，3-（烷基硫烷基）-1-二茂铁基丙烷-1-醇，（E）-和（Z）-2 -（烷基硫烷基）-1-二茂铁基乙烷-1-酮肟，和（E）-和（Z）-3-（烷基硫烷基）-1-二茂铁基丙烷-1-酮肟（总共36种化合物）从二茂铁开始合成和相应的硫烷基酸。对所有化合物进行光谱分析（IR和NMR）并进行电化学表征。通常，发现所获得的化合物对被测微生物（六种常见人类病原体）表现出非常强的抗菌活性（肉汤微稀释法）。对于大多数测试化合物，确定的MIC值在10μg/ ml MIC限度以下，该限度被认为可以界定有效的抗菌药物，或者与使用的阳性对照（四环素/制霉菌素）相当或更低。发现最易感的生物是金黄色葡萄球菌，MIC值甚至达到0.001μg/ ml。-CH（OH）（CH（2））（n）S-和-CH（= NOH）（CH（2））（n）S-（n