S-phenyl 2-methylbutanethioate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯硫酚酯
• 英文名称: S-phenyl 2-methylbutanethioate
• 化学式: C₁₁H₁₄OS
• 分子量: 194.298
• InChiKey: HTBQZFBXUSENMD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-甲基丁酸 、 苯硫酚 在 氢气 作用下， 300.0 ℃ 、101.33 kPa 条件下， 反应 3.0h， 生成 S-phenyl 2-methylbutanethioate 、 二苯二硫醚
  参考文献：
  名称：

  在高于200°C的温度下，在固态酸催化剂上，将S和脂肪族和芳香族硫醇与羧酸及其酯进行酰基化反应

  摘要：

  苯硫醇用乙酸在氢气流中在[（反应的Mo 6氯8）氯4（H 2 O）2 ]·6H 2 O.催化簇出现在200℃以上的活性，得到小号-苯基硫代乙酸酯。在300°C下的选择性为98％。具有相同八面体金属骨架的铌，钽和卤化钨簇也催化该反应。苯甲酸和脂族羧酸通过与苯硫醇反应得到相应的S-苯基碳硫盐。脂肪族硫醇也被S-酰化以产生相应的S-烷基硫代碳酸盐。当羧酸酯与苯硫醇在[（Nb 6 Cl 12）Cl 2（H 2 O）4 ]·4H 2 O上于450°C应用于反应时，该酯的空间不受阻碍的部分被并入产物中：S选择性地获得-苯基硫代乙酸酯或甲基苯基硫。通过热活化在簇状配合物上形成的布朗斯台德酸位点是催化剂的活性位点。因此，在200°C以上稳定的固体酸（例如二氧化硅-氧化铝，沸石和杂多酸）也会催化这些反应。

  DOI：

  10.1016/j.apcata.2013.06.011

文献信息

• Manganese(<scp>iii</scp>)-promoted thiocarbonylation of alkylborates with disulfides: synthesis of aliphatic thioesters
  作者：Bo Chen、Xiao-Feng Wu

  DOI：10.1039/d1ob01960k

  日期：——

  A Mn(III)-promoted thiocarbonylation procedure toward the synthesis of thioesters has been developed. By employing easily available disulfides and potassium alkyltrifluoroborates as the starting materials, and cheap and non-toxic Mn(OAc)3·2H2O as the promotor, a broad range of thioesters were synthesized in good to excellent yields via radical intermediates.

  已开发出一种用于合成硫酯的 Mn( III ) 促进的硫代羰基化过程。以易得的二硫化物和烷基三氟硼酸钾为起始原料，以廉价且无毒的Mn(OAc) 3 ·2H 2 O为促进剂，通过自由基中间体以良好至优异的产率合成了多种硫酯。
• MODULATORS OF BODY WEIGHT, CORRESPONDING NUCLEIC ACIDS AND PROTEINS, AND DIAGNOSTIC AND THERAPEUTIC USES THEREOF
  申请人：THE ROCKEFELLER UNIVERSITY

  公开号：EP0777732B1

  公开（公告）日：2011-09-28
• CROSS-LINKED ANTIBODIES
  申请人：UCB Pharma, S.A.

  公开号：EP1751192B1

  公开（公告）日：2011-11-30
• COMPOSITIONS THAT BIND MULTIPLE EPITOPES OF IGF-1R
  申请人：Glaser Scott

  公开号：US20090130105A1

  公开（公告）日：2009-05-21

  The instant invention is based, at least in part on the finding that binding molecules which bind to different epitopes within IGF-1R result in improved IGF-1 and/or IGF-2 blocking capabilities when compared to binding molecules that bind to a single IGF-1R epitope. The instant invention provides compositions that bind to multiple epitopes of IGF-1R, for example, combinations of monospecific binding molecules or multispecific binding molecules (e.g., bispecific molecules). Methods of making the subject binding molecules and methods of using the binding molecules of the invention to antagonize IGF-1R signaling are also provided.
• VH4 ANTIBODIES AGAINST GRAY MATTER NEURON AND ASTROCYTE
  申请人：The Board of Regents of the University of Texas System

  公开号：US20170002064A1

  公开（公告）日：2017-01-05

  Monoclonal antibodies exhibiting an VH4 signature associated with multiple sclerosis (MS) and clinically isolated syndrome have been produced and sequenced. These antibodies antibodies recognize neuronal nuclei and/or astrocytes in both mouse and human gray matter (GM) brain tissue and thus are useful in binding assays for such. They are also useful in the production of MS animal models, and as targets for MS therapies.