S-phenyl thiosalicylate | 1441-93-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: S-phenyl thiosalicylate
• 英文别名: salicyl-S-phenyl thioester；S-phenyl 2-hydroxybenzothioate；2-Hydroxy-thiobenzoesaeure-S-phenylester；2-hydroxy-thiobenzoic acid S-phenyl ester；phenyl thiosalicylate；S-phenyl 2-hydroxybenzenecarbothioate
• CAS: 1441-93-6
• 化学式: C₁₃H₁₀O₂S
• 分子量: 230.287
• InChiKey: SPYFKOAKRWZDGL-UHFFFAOYSA-N

物化性质

• 熔点：
  91 °C
• 沸点：
  366.8±34.0 °C(Predicted)
• 密度：
  1.31±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 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：

  S-phenyl thiosalicylate 、 辅酶 A 以 aq. phosphate buffer 为溶剂， 反应 2.0h， 生成 salicyloyl-CoA
  参考文献：
  名称：

  通过两个KAS III样酰基转移酶活性的比较动力学分析洞察氯霉素生物合成过程中甲基水杨基部分的功能化

  摘要：

  螺旋菌素抗生素家族的原型成员氯霉素（CHL）具有含四环素的五环糖苷配基，该化合物通过二糖键与修饰的甲基水杨酸（MSA）部分缀合。MSA是由迭代I型聚酮化合物合酶ChlB1组装而成的聚酮化合物产品。将此重要的药学部分并入CHL依赖于两种不同的β-酮酰基-ACP合酶III（KAS III）样酰基转移酶ChlB3和ChlB6的活性，二者协同作用以协调MSA通过离散的酰基载体ChlB2的转移。蛋白质（ACP）。在成熟CHL，MSA需要通过C2 - O-甲基化和C5-氯化进一步功能化; 但是，此功能化过程的时间安排仍然知之甚少。在这项研究中，我们报道了使用取代程度和ACP载体不同的底物对两种KAS III样酰基转移酶ChlB3和ChlB6的活性进行的动力学比较动力学分析。ChlB3倾向于将立即组装的6-甲基-MSA部分从ChlB1-ACP转移到离散的ACP ChlB2，从该部分开始，优选在C2- O

  DOI：

  10.1002/cjoc.201900134
• 作为产物：
  描述：

  水杨酸苯酯 、 苯硫酚 在 三氯氧磷 作用下， 生成 S-phenyl thiosalicylate
  参考文献：
  名称：

  Miyaki; Yamagishi, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1956, vol. 76, p. 436,437

  摘要：

  DOI：

文献信息

• Cu-Catalyzed Oxidative Thioesterification of Aroylhydrazides with Disulfides
  作者：Shimin Xie、Lebin Su、Min Mo、Wang Zhou、Yongbo Zhou、Jianyu Dong

  DOI：10.1021/acs.joc.0c02328

  日期：2021.1.1

  coupling of readily available aroylhydrazides with disulfides is developed, in which oxidative expulsion of N2 overcomes the activation barrier between the carboxylic acid derivatives and the products. The reaction produces various thioesters in good to excellent yields with good functional group tolerance. In the reaction, stable and easily available aroylhydrazides are used as acyl sources and the

  通过易得的芳酰肼与二硫化物的铜催化的氧化偶联，开发了另一种硫酯化反应，其中N 2的氧化排出克服了羧酸衍生物和产物之间的活化障碍。该反应以良好的收率和优异的官能度耐受性产生了各种硫酯。在该反应中，将稳定且容易获得的芳酰基酰肼用作酰基源，并将相对无味的二硫化物用作S源。机理研究表明，铜盐与氧化剂（NH 4）2 S 2 O 8的反应 可以实现串联过程，包括去质子化，自由基介导的脱氮和CS键形成。
• Rapid and Regiospecific Phenylthiolation of Some Organic Acids Catalyzed by AlCl₃ in the Presence of Excess Anhydrous ZnCl₂
  作者：H. N. Roy、Ashis K. Sarker、A. H. Al Mamun

  DOI：10.1080/00397910903219567

  日期：2010.6.25

  Phenylthiolation of some carboxylic acids catalyzed by AlCl3 in the presence of excess dehydrating agent (ZnCl2) has been achieved. Moreover, regiospecificity was tested of some dioic acids and found to be specific at the aliphatic part of carboxylic functionality.

  在过量脱水剂 (ZnCl2) 存在下，AlCl3 催化某些羧酸的苯硫基化已经实现。此外，对一些二酸进行了区域特异性测试，发现在羧基官能团的脂肪族部分具有特异性。
• Mercaptobenzoates as stabilizers for chlorine-containing polymers
  申请人：Ciba-Geigy Corporation

  公开号：US05030671A1

  公开（公告）日：1991-07-09

  A composition containing a) a chlorine-containing polymer, b) at least one Me(II) carboxylate and/or Me(II) phenolate, wherein Me(II) represents Ba, Ca, Mg, Sr or Zn, and c) at least one compound of formula I ##STR1## wherein n is 1, 2, 3, 4 or 6 and, when n is 1, X is C.sub.1 -C.sub.20 alkyl, C.sub.3 -C.sub.20 -alkenyl, C.sub.5 -C.sub.12 cycloalkyl, C.sub.5 -C.sub.12 cycloalkyl substituted by C.sub.1 -C.sub.4 alkyl, phenyl, C.sub.7 -C.sub.9 phenylalkyl, phenyl substituted by from 1 to 3 radicals or C.sub.7 -C.sub.9 phenylalkyl substituted on the phenyl ring by from 1 to 3 radicals, the radicals being selected from the group consisting of C.sub.1 -C.sub.4 alkyl, chlorine, hydroxy, methoxy and ethoxy; when n is 2, X is C.sub.2 -C.sub.12 alkylene, C.sub.2 -C.sub.12 alkylene substituted by phenyl, or C.sub.2 -C.sub.12 alkylene interrupted by oxygen or sulfur atoms; when n is 3, X is, for example, C.sub.3 -C.sub.7 alkanetriyl; when n is 4, X is, for example, C.sub.4 .varies.C.sub.10 alkanetetrayl, and when n is 6, X is a group of formula IV ##STR2## Some of the compounds of formula I are novel.

  一种组合物包含：a) 含氯聚合物；b) 至少一种Me(II)羧酸盐和/或Me(II)酚盐，其中Me(II)代表Ba、Ca、Mg、Sr或Zn；c) 至少一种式I的化合物：##STR1## 其中n为1、2、3、4或6，当n为1时，X为C.sub.1-C.sub.20烷基、C.sub.3-C.sub.20烯基、C.sub.5-C.sub.12环烷基、被C.sub.1-C.sub.4烷基取代的C.sub.5-C.sub.12取代环烷基、苯基、C.sub.7-C.sub.9苯基烷基、从1到3个基团或C.sub.7-C.sub.9苯基烷基在苯环上被从1到3个基团取代，所述基团从C.sub.1-C.sub.4烷基、氯、羟基、甲氧基和乙氧基中选择；当n为2时，X为C.sub.2-C.sub.12亚烷基、被苯基取代的C.sub.2-C.sub.12亚烷基，或被氧或硫原子中断的C.sub.2-C.sub.12亚烷基；当n为3时，X为例如C.sub.3-C.sub.7烷基三元基；当n为4时，X为例如C.sub.4-C.sub.10烷基四元基；当n为6时，X为式IV的基团：##STR2## 其中式I的某些化合物是新颖的。
• Non-toxic corrosion-protection pigments based on manganese
  申请人：——

  公开号：US20040011252A1

  公开（公告）日：2004-01-22

  Corrosion-inhibiting pigments based on manganese are described that contain a trivalent or tetravalent manganese/valence stabilizer complex. An inorganic or organic material is used to stabilize the trivalent or tetravalent manganese ion to form a compound that is sparingly soluble, exhibits low solubility, or is insoluble in water, depending upon the intended usage. Specific stabilizers are chosen to control the release rate of trivalent or tetravalent manganese during exposure to water and to tailor the compatibility of the powder when used as a pigment in a chosen binder system. Stabilizers may also modify the processing and handling characteristics of the formed powders. Manganese/valence stabilizer combinations are chosen based on the well-founded principles of manganese coordination chemistry. Many manganese-valence stabilizer combinations are presented that can equal the performance of conventional hexavalent chromium or tetravalent lead systems. It is emphasized that this abstract is provided to comply with the rules requiring an abstract which will allow a searcher or other reader to quickly ascertain the subject matter of the technical disclosure. It is submitted with the understanding that it will not be used to interpret or limit the scope or meaning of the claims.

  以锰为基础的缓蚀颜料含有三价或四价锰/价稳定剂复合物。一种无机或有机材料可用于稳定三价或四价锰离子，从而形成一种可少量溶解、溶解度低或不溶于水的化合物，具体取决于预期用途。选择特定的稳定剂是为了控制三价锰或四价锰在遇水时的释放率，并调整粉末在所选粘合剂体系中用作颜料时的相容性。稳定剂还可以改变成型粉末的加工和处理特性。锰/价稳定剂组合的选择是基于锰配位化学的基本原理。文中介绍了许多锰价稳定剂组合，其性能与传统的六价铬或四价铅体系相当。需要强调的是，提供本摘要是为了符合要求提供摘要的规则，以便检索者或其他读者快速确定技术公开的主题。提交本摘要的前提是，本摘要不用于解释或限制权利要求的范围或含义。
• Non-toxic corrosion-protection pigments based on rare earth elements
  申请人：——

  公开号：US20040104377A1

  公开（公告）日：2004-06-03

  A corrosion-inhibiting pigment comprising a rare earth element and a valence stabilizer combinded to form a rare earth/valence stabilizer complex. The rare earth element is selected from cerium, terbium, praseodymium, or a combination thereof, and at least one rare earth element is in the tetravalent oxidation state. An inorganic or organic material is used to stabilize the tetravalent rare earth ion to form a compound that is sparingly soluble in water. Specific stabilizers are chosen to control the release rate of tetravalent cerium, terbium, or praseodymium during exposure to water and to tailor the compatibility of the powder when used as a pigment in a chosen binder system. Stabilizers may also modify the processing and handling characteristics of the formed powders. Many rare earth-valence stabilizer combinations are presented that can equal the performance of conventional hexavalent chromium systems.

  一种缓蚀颜料，由稀土元素和价态稳定剂结合形成稀土/价态稳定剂复合物。稀土元素选自铈、铽、镨或它们的组合，至少有一种稀土元素处于四价氧化态。使用无机或有机材料来稳定四价稀土离子，以形成稀溶于水的化合物。选择特定的稳定剂是为了控制四价铈、铽或镨在遇水时的释放率，并调整粉末在所选粘合剂体系中用作颜料时的相容性。稳定剂还可以改变成型粉末的加工和处理特性。本文介绍了许多稀土-价稳定剂组合，其性能可与传统的六价铬体系媲美。