2,4-双(氢硫甲基)-1,3,5-三甲苯 | 10074-13-2

• 物质功能分类: 化学试剂 - 有机试剂 - 硫醇盐
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2,4-双(氢硫甲基)-1,3,5-三甲苯
• 中文别名: 2,4-双(疏基甲基)-1,3,5-三甲苯
• 英文名称: (2,4,6-trimethylbenzene-1,3-diyl)dimethanethiol
• 英文别名: 2,4,6-Trimethyl-1,3-benzenedimethanethiol；[2,4,6-trimethyl-3-(sulfanylmethyl)phenyl]methanethiol
• CAS: 10074-13-2
• 化学式: C₁₁H₁₆S₂
• mdl: MFCD00173912
• 分子量: 212.38
• InChiKey: FDLRLJPEBZYMMO-UHFFFAOYSA-N

物化性质

• 熔点：
  67-68 °C(lit.)
• 沸点：
  342.9±37.0 °C(Predicted)
• 密度：
  1.067±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.454
• 拓扑面积：
  2
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S36
• 危险类别码：
  R36/37/38
• WGK Germany：
  3
• 海关编码：
  2930909090

反应信息

• 作为反应物：
  描述：

  oxiranylmethyl-pentyl-malonic acid diethyl ester 、 2,4-双(氢硫甲基)-1,3,5-三甲苯 在 吡啶 作用下， 以 乙醇 为溶剂， 以51%的产率得到2,6-bis(4-ethoxycarbonyl-5-oxo-4-pentyltetrahydrofuran-2-ylmethylsulfanylmethyl)-1,3,5-trimethylbenzene
  参考文献：
  名称：

  Reactions of aromatic dithiols with diethyl 2-alkyl-2-(oxiran-2-ylmethyl)malonates

  摘要：

  New sulfur-containing butano-4-lactones were synthesized by reaction of diethyl 2-alkyl-2-(oxiran-2-ylmethyl)malonates with biphenyl-4,4'-dithiol, (biphenyl-4,4'-diyl)dimethanethiol, and (2,4,6-trimethylbenzene- 1,3-diyl)dimethanethiol. Opening of the oxirane ring in the initial ester followed the Krasuskii rule.

  DOI：

  10.1134/s1070428012030062

文献信息

• FUNCTIONALIZED PHOTOREACTIVE COMPOUNDS
  申请人：Bury Izabela

  公开号：US20100266821A1

  公开（公告）日：2010-10-21

  The present invention relates to a photoreactive compound for the preparation of a photoalignment material comprising thioether units, wherein the photoreactive compound is comprising at least one ene group and at least one photoalignment group, and further to a composition comprising at least one photoreactive compound and at least one polythiol, the use of this composition for the preparation of photoalignment materials, and their use for the alignment of liquid crystals or liquid crystal polymers, in electro-optical and optical elements, systems and devices.

  本发明涉及一种用于制备包含硫醚单元的光反应化合物的光调向材料，其中所述光反应化合物包括至少一个烯基团和至少一个光调向基团，并且还涉及一种包含至少一种光反应化合物和至少一种多硫醇的组合物，以及利用该组合物制备光调向材料，并将其用于液晶或液晶聚合物的调向，在电光和光学元件、系统和设备中的应用。
• Novel antibacterial agents
  申请人：Christensen G. Burton

  公开号：US20070134729A1

  公开（公告）日：2007-06-14

  This invention relates to novel multibinding compounds (agents) that are antibacterial agents. The multibinding compounds of the invention comprise from 2-10 ligands covalently connected by a linker or linkers, wherein each of said ligands in their monovalent (i.e., unlinked) state have the ability to bind to a an enzyme involved in cell wall biosynthesis and metabolism, a precursor used in the synthesis of the bacterial cell wall and/or the bacterial cell surface thereby interfere with the synthesis and/or metabolism of the cell wall. In particular the multibinding compounds of the invention comprise from 2-10 ligands covalently connected by a linker or linkers, wherein each of said ligands has a ligand domain capable of binding to penicillin binding proteins, a transpeptidase enzyme, a substrate of a transpeptidase enzyme, a beta-lactamase enzyme, pencillinase enzyme, cephalosporinase enzyme, a transglycoslase enzyme, or a transglycosylase enzyme substrate; Preferably, the ligands are selected from the beta lactam or glycopeptide class of antibacterial agents.

  本发明涉及一种新型多结合化合物（药剂），其为抗菌剂。该发明的多结合化合物由2-10个配体通过连接剂或连接剂共价连接而成，其中每个单价（即未连接的）配体具有与细胞壁生物合成和代谢中的酶、合成细菌细胞壁和/或细菌细胞表面的前体有结合能力，从而干扰细胞壁的合成和/或代谢。特别地，本发明的多结合化合物由2-10个配体通过连接剂或连接剂共价连接而成，其中每个配体具有能够结合青霉素结合蛋白、横向肽酶酶、横向肽酶酶底物、β-内酰胺酶、青霉素酶、头孢菌素酶、横向转移酶酶或横向转移酶酶底物的配体结构域。优选地，配体选自β-内酰胺类或糖肽类抗菌剂。
• SULFUR MODIFIED SILANES FOR THE ELABORATION OF HIGH REFRACTIVE INDEX MATERIALS
  申请人：BITEAU JOHN

  公开号：US20090287015A1

  公开（公告）日：2009-11-19

  A composition having a polythiol reactant and an alkenyl silane reactant which are combined to form a polysulfide polysilane. In the process, the reactants are combined in a thiol-ene addition process driven by UV radiation. The polysulfide polysilane is then hydrolyzed and may be combined with other hydrolyzed compounds. For coatings, the polysulfide polysilane is hydrolyzed and may optionally be combined with nanoparticles. For bulk materials, the polysulfide polysilane is hydrolyzed, concentrated and heated to form a high refractive index material which can be used to form lenses.

  一种组成物包含聚硫醇反应物和烯基硅烷反应物，它们结合形成聚硫化聚硅烷。在该过程中，反应物通过紫外辐射驱动硫醇-烯烃加成反应组合。然后，聚硫化聚硅烷被水解并可与其他水解化合物结合。对于涂层，聚硫化聚硅烷被水解并可选择与纳米颗粒结合。对于大块材料，聚硫化聚硅烷被水解、浓缩并加热形成高折射率材料，可用于形成透镜。
• Beta2-Adrenergic Receptor Agonists
  申请人：Moran Edmund J.

  公开号：US20080269344A1

  公开（公告）日：2008-10-30

  Disclosed are multibinding compounds which are β2 adrenergic receptor agonists and are useful in the treatment and prevention of respiratory diseases such as asthma, bronchitis. They are also useful in the treatment of nervous system injury and premature labor.

  本发明涉及多结合化合物，其是β2肾上腺素能受体激动剂，可用于治疗和预防哮喘、支气管炎等呼吸系统疾病。它们还可用于治疗神经系统损伤和早产。
• Beta2-adrenergic receptor agonists
  申请人：Moran J. Edmund

  公开号：US20070179179A1

  公开（公告）日：2007-08-02

  Disclosed are multibinding compounds which are β2 adrenergic receptor agonists and are useful in the treatment and prevention of respiratory diseases such as asthma, bronchitis. They are also useful in the treatment of nervous system injury and premature labor.

  本发明涉及多重结合化合物，其为β2肾上腺素能受体激动剂，可用于治疗和预防哮喘、支气管炎等呼吸系统疾病。它们还可用于治疗神经系统损伤和早产。