1-Ethylsulfanylbutan-2-ol | 872313-01-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-Ethylsulfanylbutan-2-ol
• CAS: 872313-01-4
• 化学式: C₆H₁₄OS
• 分子量: 134.243
• InChiKey: VYZVRWXBENJFBH-UHFFFAOYSA-N

物化性质

• 沸点：
  211.0±13.0 °C(Predicted)
• 密度：
  0.962±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  8
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  45.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  氧化苯乙烯 、 1-Ethylsulfanylbutan-2-ol 以 氯苯 为溶剂， 生成 1,2-环氧丁烷 、 (±)-1-(phenylthio)butan-2-ol
  参考文献：
  名称：

  Routes for reactions of alkylene oxides with R-β-hydroxyalkyl sulfides: Unusual exchange of functional groups

  摘要：

  Possible routes of the previously unknown exchange reaction of alkylene oxides with R-beta-hydroxyalkyl sulfides have been considered. Each route has intermediates and transition states of its own, but all the directions in the final stage lead to the formation of a single intermediate cyclic bipolar ion with intramolecular hydrogen bonding, which determines the common nature and composition of end products for all routes. The features of the reaction have been analyzed. The quantitative description of each route has been given.

  DOI：

  10.1134/s0965544112010069

文献信息

• Protein Kinase Conjugates and Inhibitors
  申请人：Celgene Avilomics Research, Inc.

  公开号：US20170174691A1

  公开（公告）日：2017-06-22

  The invention relates to protein conjugates that contain a protein kinase containing a cysteine residue in the ATP binding site and an inhibitor that is covalently and irreversibly bonded to said cysteine residue, such that the activity of the protein kinase is irreversibly inhibited. The invention also relates to compounds that irreversibly inhibit protein kinases.

  该发明涉及含有蛋白激酶的蛋白共轭物，该蛋白激酶在ATP结合位点含有半胱氨酸残基，并且与该半胱氨酸残基共价且不可逆地结合的抑制剂，从而不可逆地抑制了蛋白激酶的活性。该发明还涉及不可逆地抑制蛋白激酶的化合物。
• ERK INHIBITORS AND USES THEREOF
  申请人：Celgene Avilomics Research, Inc.

  公开号：US20140228322A1

  公开（公告）日：2014-08-14

  The present invention provides compounds, compositions thereof, and methods of using the same.

  本发明提供了化合物、其组合物以及使用它们的方法。
• MK2 INHIBITORS AND USES THEREOF
  申请人：CELGENE AVILOMICS RESEARCH, INC.

  公开号：US20150376208A1

  公开（公告）日：2015-12-31

  The present invention provides compounds, compositions thereof, and methods of using the same.

  本发明提供化合物，其组成物和使用方法。
• METHOD FOR PREPARING POLYTHIOL COMPOUND, METHOD FOR PREPARING CURABLE COMPOSITION, AND METHOD FOR PRODUCING CURED PRODUCT
  申请人：Hoya Lens Thailand Ltd.

  公开号：EP3480185A1

  公开（公告）日：2019-05-08

  Provided is a method for producing a polythiol compound, the method including: step 1 of reacting 2-mercaptoethanol having a water content of 3000 ppm or less on a mass basis, with epihalohydrin to obtain a halide represented by the formula (1), wherein X represents a halogen atom; step 2 of reacting the halide represented by the formula (1) with an alkali metal compound selected from the group consisting of an alkali metal sulfide and an alkali metal hydroxide to obtain a polyol compound selected from the group consisting of a polyol compound represented by the formula (2) and a polyol compound represented by the formula (3); step 3 of reacting the polyol compound with thiourea in the presence of an acid to obtain an isothiuronium salt; step 4 of hydrolyzing the isothiuronium salt in the presence of a base to obtain a polythiol salt; and step 5 of converting the polythiol salt into a polythiol by an acid to obtain at least one polythiol compound selected from the group consisting of a polythiol compound represented by the formula (4), a polythiol compound represented by the formula (5), a polythiol compound represented by the formula (6), and a polythiol compound represented by the formula (7).

  本发明提供了一种生产聚硫醇化合物的方法，该方法包括步骤 1：将水含量为 3000 ppm 或更低的 2-巯基乙醇与表卤代甲醇反应，得到由式（1）代表的卤化物，其中 X 代表卤素原子；步骤 2：将式（1）代表的卤化物与选自碱金属硫化物和碱金属氢氧化物的碱金属化合物反应，得到选自式（2）代表的多元醇化合物和式（3）代表的多元醇化合物的多元醇化合物；步骤 3：在酸存在下，使多元醇化合物与硫脲反应，得到异硫脲盐； 步骤 4：在碱存在下，水解异硫脲盐，得到聚硫醇盐；步骤 5 用酸将聚硫醇盐转化为聚硫醇，得到至少一种聚硫醇化合物，该化合物选自由式 (4) 所代表的聚硫醇化合物、式 (5) 所代表的聚硫醇化合物、式 (6) 所代表的聚硫醇化合物和式 (7) 所代表的聚硫醇化合物组成的组。
• MIXED MODE LIGANDS
  申请人：AIT-HADDOU Hassan

  公开号：US20130030154A1

  公开（公告）日：2013-01-31

  Substrates comprising a solid support, a ligand, and a linker comprising at least one C, O, N, or S atom covalently connecting the solid support to the ligand, are disclosed, along with methods of using and making the substrates, and devices including the substrates.