3,4,5-trimethylthiophenol | 153261-64-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯硫酚类
• 英文名称: 3,4,5-trimethylthiophenol
• 英文别名: 3,5-Dimethyl-4-methylthiophenol；3,4,5-trimethylbenzenethiol
• CAS: 153261-64-4
• 化学式: C₉H₁₂S
• 分子量: 152.26
• InChiKey: INUIIFYJGREHOR-UHFFFAOYSA-N

物化性质

• 沸点：
  250.8±9.0 °C(Predicted)
• 密度：
  1.009±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3,4,5-trimethylthiophenol 在 磺酰氯 、 溶剂黄146 作用下， 以 甲苯 为溶剂， 生成 3,4,5-trimethylbenzenesulfinyl chloride
  参考文献：
  名称：

  溶瘤磺酰脲类的磺酰亚胺酰胺类似物。

  摘要：

  合成了一系列溶瘤性二芳基磺酰脲类的磺酰亚胺酰胺类似物，并评估了（1）对CEM细胞的体外细胞毒性，（2）对腋下植入的6C3HED淋巴肉瘤的体内抗肿瘤活性，以及​​（3）对p的邻硫酸盐的代谢分解-氯苯胺。一种磺酰亚胺酰胺类似物的分离对映体在体内筛选模型中显示出非常不同的活性。通常，当口服或腹膜内给药时，几种类似物在6C3HED模型中显示出优异的生长抑制活性。与溶瘤磺酰脲的相关结构-活性关系不明显。

  DOI：

  10.1021/jm960673l
• 作为产物：
  描述：

  3,4,5-三甲基苯胺 生成 3,4,5-trimethylthiophenol
  参考文献：
  名称：

  Degani,J. et al., Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 1967, vol. 23, p. 1351 - 1372

  摘要：

  DOI：

文献信息

• Organic Semiconductor Material
  申请人：Miyata Yasuo

  公开号：US20110087034A1

  公开（公告）日：2011-04-14

  A dihydroindacene compound represented by the following formula (1): wherein R 1 is identical or different from each other, and each denotes a hydrogen atom, alkyl which may be substituted, alkenyl which may be substituted, alkynyl which may be substituted, alkoxy which may be substituted, alkylthio which may be substituted, aryl which may be substituted, aryloxy which may be substituted, or the like; R 2 to R 5 are identical or different from each other, and each denote a hydrogen atom, alkyl which may be substituted, alkenyl which may be substituted, or the like; p is 0, 1, or 2; and ring structures A and B are identical or different from each other, and each denote a benzene ring which may be substituted, a thiophene ring which may be substituted, or the like.

  一种二氢吲哚嗪化合物，其由以下式（1）表示：其中R1彼此相同或不同，各自表示氢原子、可被取代的烷基、可被取代的烯基、可被取代的炔基、可被取代的烷氧基、可被取代的烷硫基、可被取代的芳基、可被取代的芳氧基等；R2至R5彼此相同或不同，各自表示氢原子、可被取代的烷基、可被取代的烯基等；p为0、1或2；环结构A和B彼此相同或不同，各自表示可被取代的苯环、可被取代的噻吩环等。
• Selective Inhibition of the Hsp90α Isoform
  作者：Sanket J. Mishra、Anuj Khandelwal、Monimoy Banerjee、Maurie Balch、Shuxia Peng、Rachel E. Davis、Taylor Merfeld、Vitumbiko Munthali、Junpeng Deng、Robert L. Matts、Brian S. J. Blagg

  DOI：10.1002/anie.202015422

  日期：2021.5.3

  90 kDa heat shock protein (Hsp90) is a molecular chaperone that processes nascent polypeptides into their biologically active conformations. Many of these proteins contribute to the progression of cancer, and consequently, inhibition of the Hsp90 protein folding machinery represents an innovative approach toward cancer chemotherapy. However, clinical trials with Hsp90 N‐terminal inhibitors have encountered

  90 kDa 热休克蛋白 (Hsp90) 是一种分子伴侣，可将新生多肽加工成具有生物活性的构象。许多这些蛋白质都会导致癌症的进展，因此，抑制 Hsp90 蛋白质折叠机制代表了癌症化疗的一种创新方法。然而，Hsp90 N 末端抑制剂的临床试验遇到了有害的副作用和毒性，这似乎是由于所有四种 Hsp90 亚型的泛抑制所致。因此，异构体选择性 Hsp90 抑制剂的开发旨在描述每种异构体所发挥的病理作用。在此，我们描述了一种基于结构的方法，用于设计第一个 Hsp90α 选择性抑制剂，与其他 Hsp90 同工型相比，其选择性为 >50 倍。
• Process for the preparation of polyether polyols
  申请人：——

  公开号：US20010053866A1

  公开（公告）日：2001-12-20

  The present invention relates to a process for the preparation of polyether polyols by the reaction of alkylene oxides and compounds containing active hydrogens, in the presence of specific Lewis acid metal compounds as catalysts, novel bis(perfluoroalkylsulfonic acid) compounds of Group 13 of the Periodic Table of the Elements, and to a process for the preparation thereof and the use thereof as catalysts for ring-opening polymerization of cyclic ethers.

  本发明涉及一种通过在特定Lewis酸金属化合物存在下，通过烷氧基氧化物和含有活性氢的化合物的反应制备聚醚多元醇的方法，以及周期表元素第13组的新型双(全氟烷基磺酸)化合物，以及其制备方法和用作环氧烷环开聚合的催化剂的方法。
• Metal Thietane Compound, Polymerizable Composition Containing the Compound, Resin and Use of the Resin
  申请人：Murakami Masakazu

  公开号：US20130018169A1

  公开（公告）日：2013-01-17

  Polymerizable compositions containing at least one metal thietane compound represented by general formulas (110), (201) or (120), respectively, wherein said formulas are as follows: and wherein the identified moieties and n, p, q and r are defined.

  含有至少一种由通式（110）、（201）或（120）表示的金属噻吩化合物的聚合物组合物，其中所述的通式如下：其中所识别的基团和n、p、q和r已被定义。
• METAL THIETANE COMPOUND, POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND, RESIN AND USE OF THE RESIN
  申请人：Murakami Masakazu

  公开号：US20100240862A1

  公开（公告）日：2010-09-23

  Disclosed is a metal thietane compound represented by the following general formula (120), (wherein, in the above general formula (120), M is a member selected from the group consisting of Bi, Sb, Ti, Zr and Ta; X 1 and X 2 are each independently a sulfur atom or an oxygen atom; R 1 is a divalent organic group; the bond between M and T shown by a dotted line and a solid line represents a single or double bond; m is an integer of 0 or 1 or more; n is the number of valence of M; and p is an integer of equal to or more than 1 and equal to or less than n, provided that when r is 1, q is 0 and Y is a monovalent inorganic or organic group; when r is 1 and n-p-q is 2 or more, a plurality of Ys contained are each independently selected from monovalent inorganic or organic groups; when r is 1 and n-p-q is 2 or more, a plurality of Ys may be bonded to each other to form a ring containing M; when r is 2, n-p-q is 1 or 2 and Y is a divalent group; when r is 2 and n-p-q is 2, two Ys may form a ring together with two Ms; and when r is 2 and q is 2, a plurality of Ts contained are each independently selected from inorganic or organic groups).

  公开了一种金属硫代环烷化合物，其通式如下（120），其中，在上述通式（120）中，M是从Bi、Sb、Ti、Zr和Ta组成的群体中选择的成员；X1和X2分别是硫原子或氧原子；R1是二价有机基团；M和T之间的键由虚线和实线表示，表示单键或双键；m是0或1或更多的整数；n是M的化合价数；p是大于或等于1且小于或等于n的整数，其中当r为1时，q为0且Y为一价无机或有机基团；当r为1且n-p-q为2或更多时，所含的多个Y各自独立地选择自一价无机或有机基团；当r为1且n-p-q为2或更多时，多个Y可以相互连接形成含M的环；当r为2时，n-p-q为1或2且Y为二价基团；当r为2且n-p-q为2时，两个Y可以与两个M一起形成环；当r为2且q为2时，所含的多个T各自独立地选择自无机或有机基团。