tert-butoxy-4-methylsulfanyl-benzene | 471866-59-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: tert-butoxy-4-methylsulfanyl-benzene
• 英文别名: [4-(tert-Butoxy)phenyl](methyl)sulfane；1-[(2-methylpropan-2-yl)oxy]-4-methylsulfanylbenzene
• CAS: 471866-59-8
• 化学式: C₁₁H₁₆OS
• 分子量: 196.313
• InChiKey: LKGJFALNJDXYAT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  34.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  tert-butoxy-4-methylsulfanyl-benzene 在 氨 、 sodium 、 sodium hydride 作用下， 以 乙醚 为溶剂， 生成 1,2,3,4,5,6-Hexakis-(4-tert-butoxy-phenylsulfanyl)-benzene
  参考文献：
  名称：

  Synthesis and Properties of Water-Soluble Asterisk Molecules

  摘要：

  An asterisk is comprised of six semirigid arms projecting from a benzene nucleus. In the case at hand, asterisks were synthesized with one, two, or three aromatic rings (connected by sulfur atoms) in each of the six arms. A phosphomonoester at the termini of each arm solubilized the asterisks in water. The colloidal properties of these amphiphilic molecules were investigated by UV-vis and fluorescence spectroscopy, calorimetry, light scattering, surface tensiometry, and pulse-gradient spin-echo NMR. Solubility, solubilization, metal binding, and micelle "seeding" experiments were also carried out. Chain-conformation and supramolecular assembly into remarkable molecular "scrolls" were investigated by X-ray analysis and electron microscopy, respectively. One of the more interesting properties of the asterisks is that they remain monomeric in water despite having as many as 19 hydrophobic aromatic rings exposed to the water. The reasons for this behavior, and the possibility of exploiting it for constructing enzyme models free from aggregation equilibria, are discussed.

  DOI：

  10.1021/ja0206238
• 作为产物：
  描述：

  4-(甲硫基)苯酚 、 异丁烯 在 三氟甲磺酸 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以52.4%的产率得到tert-butoxy-4-methylsulfanyl-benzene
  参考文献：
  名称：

  Synthesis and Properties of Water-Soluble Asterisk Molecules

  摘要：

  An asterisk is comprised of six semirigid arms projecting from a benzene nucleus. In the case at hand, asterisks were synthesized with one, two, or three aromatic rings (connected by sulfur atoms) in each of the six arms. A phosphomonoester at the termini of each arm solubilized the asterisks in water. The colloidal properties of these amphiphilic molecules were investigated by UV-vis and fluorescence spectroscopy, calorimetry, light scattering, surface tensiometry, and pulse-gradient spin-echo NMR. Solubility, solubilization, metal binding, and micelle "seeding" experiments were also carried out. Chain-conformation and supramolecular assembly into remarkable molecular "scrolls" were investigated by X-ray analysis and electron microscopy, respectively. One of the more interesting properties of the asterisks is that they remain monomeric in water despite having as many as 19 hydrophobic aromatic rings exposed to the water. The reasons for this behavior, and the possibility of exploiting it for constructing enzyme models free from aggregation equilibria, are discussed.

  DOI：

  10.1021/ja0206238

文献信息

• SUBSTITUTED BICYCLIC COMPOUNDS USEFUL AS T CELL ACTIVATORS
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20210188845A1

  公开（公告）日：2021-06-24

  Disclosed are compounds of Formula (I): or a salt thereof, wherein: X is CR 6 or N; Y is CR 3 or N; R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , and m are defined herein. Also disclosed are methods of using such compounds to inhibit the activity of one or both of diacylglycerol kinase alpha (DGKα) and diacylglycerol kinase zeta (DGKζ), and pharmaceutical compositions comprising such compounds. These compounds are useful in the treatment of viral infections and proliferative disorders, such as cancer.

  揭示了Formula (I)的化合物： 或其盐，其中：X为CR 6 或N；Y为CR 3 或N；R 1 ，R 2 ，R 3 ，R 4 ，R 5 ，R 6 ，R 7 和m在此处定义。还揭示了使用这些化合物来抑制二酰甘油激酶α（DGKα）和二酰甘油激酶ζ（DGKζ）中的一个或两个活性的方法，以及包含这些化合物的药物组合物。这些化合物在治疗病毒感染和增生性疾病（如癌症）方面是有用的。
• NaBH₃CN: A Janus Substitute for Tin-Free Radical-Based Reactions
  作者：Julie Guiard、Yaniss Rahali、Jean-Pierre Praly

  DOI：10.1002/ejoc.201402441

  日期：2014.7

  depending on the conditions, either by reductive cyclization or atom-transfer radical cyclization. A related cyclization occurred upon using Cu(OAc)2. This and other assays showed the reduction by NaBH3CN of CuII salts, either added or formed in situ. Having both ionic and radical reactivity, NaBH3CN appears as a Janus reagent that may be useful for tin-free radical chemistry under mild and very simple

  除了表明如果溴/碘糖用 NaBH3CN 和 2,2"-偶氮二异丁腈处理时热自由基反应（还原、Giese 反应）是有效的，我们还探索了基于 CuI 盐（≤0.5 当量）的新引发条件。通过一组从有机溴化物产生自由基。这已得到证实，因为在惰性气氛下，乙酰溴葡萄糖在约 50 °C 被还原为重排的 2-脱氧葡萄糖，并且随着 N-烯丙基 α-溴酰胺反应，取决于条件，通过还原环化或原子转移自由基环化。使用 Cu(OAc)2 时会发生相关的环化反应。该试验和其他试验表明，添加或原位形成的 CuII 盐被 NaBH3CN 还原。具有离子和自由基两种反应性，
• AMPK-activating heterocyclic compounds and methods for using the same
  申请人：Rigel Pharmaceuticals, Inc.

  公开号：US10377742B2

  公开（公告）日：2019-08-13

  Disclosed are substituted pyridine compounds as well as pharmaceutical compositions and methods of use. One embodiment is a compound having the structure wherein E, J, T, the ring system denoted by “B”, T, R3, R4, w and x are as described herein. In certain embodiments, a compound disclosed herein activates the AMPK pathway, and can be used to treat metabolism-related disorders and conditions.

  所公开的是取代的吡啶化合物以及药物组合物和使用方法。其中一种化合物具有如下结构 其中 E、J、T、以 "B "表示的环系、T、R3、R4、w 和 x 如本文所述。在某些实施方案中，本文公开的化合物可激活 AMPK 通路，并可用于治疗与代谢相关的疾病和病症。
• PIPERIDINE-DIONE DERIVATIVES
  申请人：Genentech, Inc.

  公开号：US20170001990A1

  公开（公告）日：2017-01-05

  The invention provides novel compounds having the general formula: and tautomers and pharmaceutically acceptable salts thereof, wherein A 1 , A 2 , A 3 , A 4 , R 1 , R 4 , R 5 , R 6 , R 7 and R 8 are as defined herein, compositions including the compounds and methods of using the compounds.
• AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME
  申请人：Goff Dane

  公开号：US20180057478A1

  公开（公告）日：2018-03-01

  Disclosed are substituted pyridine compounds as well as pharmaceutical compositions and methods of use. One embodiment is a compound having the structure wherein E, J, T, the ring system denoted by “B”, T, R 3 , R 4 , w and x are as described herein. In certain embodiments, a compound disclosed herein activates the AMPK pathway, and can be used to treat metabolism-related disorders and conditions.