2-methyl-4-(naphthalene-2'-yl)thiazole | 57493-25-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-methyl-4-(naphthalene-2'-yl)thiazole
• 英文别名: 2-methyl-4-(naphthalen-2-yl)thiazole；2-methyl-4-[2]naphthyl-thiazole；2-Methyl-4-[2]naphthyl-thiazol；2-Methyl-4-naphthalen-2-yl-1,3-thiazole
• CAS: 57493-25-1
• 化学式: C₁₄H₁₁NS
• 分子量: 225.314
• InChiKey: YCTUEHYQMRRBAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  41.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,4,6-三硝基氯苯 、 2-methyl-4-(naphthalene-2'-yl)thiazole 以 乙醇 为溶剂， 反应 2.0h， 生成 2-methyl-4-naphthalen-2-yl-3-(2,4,6-trinitro-phenyl)-thiazolium; chloride
  参考文献：
  名称：

  Sharma,A. et al., Indian Journal of Chemistry, 1975, vol. 13, p. 509 - 510

  摘要：

  DOI：
• 作为产物：
  描述：

  2-溴代-2-乙酰基萘 在 ammonium acetate 、 溶剂黄146 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 9.0h， 生成 2-methyl-4-(naphthalene-2'-yl)thiazole
  参考文献：
  名称：

  由α-溴代酮，硫代酸盐和乙酸铵高效单锅顺序合成二/三取代噻唑的探索和优化

  摘要：

  探索了用于制备2,4-二-和2,4,5-三-取代的噻唑的优化单锅顺序程序的范围。通过用硫代酸钾盐亲核取代α-溴酮，首先形成β-酮-硫酯中间体，然后用乙酸铵和一当量的乙酸在甲苯中处理，形成亚胺中间体，从而最终导致环化反应产生噻唑。该过程应以灵活的方式加以强调，以通过选择适当取代的α-溴酮（甚至包含酸不稳定的官能团和硫代酸钾盐）来控制噻唑环周围的取代方式，因此其适用性非常广泛。

  DOI：

  10.1002/jhet.2446

文献信息

• A Novel and Efficient One Pot Synthesis of 2,4-Disubstituted Thiazoles and Oxazoles Using Phenyltrimethylammoniumtribromide in Ionic Liquid
  作者：Manoj Kumar Muthyala、Anil Kumar

  DOI：10.1002/jhet.904

  日期：2012.7

  A novel and efficient one‐pot procedure has been described for synthesis of 2,4‐disubstituted thiazoles and oxazoles from substituted ketones using phenyltrimethylammoniumtribromide as in situ brominating agent followed by reaction with thioamide/thiourea and amides/ureas, respectively in [bmim][BF4] ionicliquid. The advantages of the procedure include avoiding the handling of lacrymetric compounds

  已经描述了一种新颖有效的单罐方法，该方法使用苯基三甲基三溴化铵作为原位溴化剂，然后分别与硫代酰胺/硫脲和酰胺/脲在[bmim]中反应，从取代的酮合成2,4-二取代的噻唑和恶唑。BF 4 ]离子液体。该方法的优点包括避免处理漆料化合物，有害和有毒的有机溶剂，以及产品的良率或优良率。
• MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF
  申请人：Yang Bingwei Vera

  公开号：US20100063051A1

  公开（公告）日：2010-03-11

  Novel non-steroidal compounds are provided which are useful in treating diseases associated with modulation of the glucocorticoid receptor, AP-1, and/or NF-κB activity including inflammatory and immune diseases, obesity and diabetes having the structure of formula (I) an enantiomer, diastereomer, tautomer, solvate (e.g. a hydrate), or a pharmaceutically-acceptable salt, thereof, wherein: M is selected from alkyl, substituted alkyl, cycloalkyl, aryl, heterocyclo, and heteroaryl, provided that if M is alkyl then R 6 and R 7 taken together with the carbon atom to which they are both attached are selected from a group other than cycloalkyl; Q is selected from (i) hydrogen, C 1 -C 4 alkyl, and substituted C 1 -C 4 alkyl; or (ii) Q and R 6 are combined with the carbon atoms to which they are attached to form a 3- to 6-membered cycloalkyl; or (iii) Q and M a M are combined with the carbon atom(s) to which they are attached to form a 3- to 7-membered ring containing 1-2 heteroatoms which are independently selected from the group consisting of O, S, SO 2 , and N which ring may be optionally substituted with 0-2 R 5 groups or carbonyl; Z is selected from cycloalkyl, heterocyclo, aryl, or heteroaryl; and M a , Z a , R 1 , R 2 , R 3 , R 4 , R 6 , R 7 , and R 22 are as defined herein. Also provided are pharmaceutical compositions and methods of treating metabolic and inflammatory- or immune-associated diseases or disorders using said compounds.

  提供了一些新型非类固醇化合物，其在治疗与糖皮质激素受体、AP-1和/或NF-κB活性调节相关的疾病中非常有用，包括炎症和免疫性疾病、肥胖症和糖尿病，具有以下结构公式（I）的对映体、顺反异构体、互变异构体、溶剂化物（例如水合物）或其医药上可接受的盐，其中：M选自烷基、取代烷基、环烷基、芳基、杂环烷基和杂芳基，但如果M是烷基，则R6和R7与它们都连接的碳原子一起选自环烷基之外的一组；Q选自（i）氢、C1-C4烷基和取代的C1-C4烷基；或（ii）Q和R6与它们连接的碳原子结合形成3-到6-成员的环烷基；或（iii）Q和MaM与它们连接的碳原子结合形成1-2个杂原子（独立于O、S、SO2和N组成）的3-到7-成员的环，该环可以选择性地用0-2个R5基团或羰基取代；Z选自环烷基、杂环烷基、芳基或杂芳基；而Ma、Za、R1、R2、R3、R4、R6、R7和R22如本文所定义。还提供了制药组合物和使用所述化合物治疗代谢和炎症或免疫相关疾病或紊乱的方法。
• POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, AND OPTICAL ANISTROPIC BODY
  申请人：Zeon Corporation

  公开号：EP2913349A1

  公开（公告）日：2015-09-02

  The present invention pertains to: a polymerizable compound represented by a formula (I); a polymerizable composition comprising the polymerizable compound and an initiator; a polymer obtained by polymerizing the polymerizable compound or the polymerizable composition; and an optically anisotropic article comprising the polymer. The present invention provides a polymerizable compound, a polymerizable composition, and a polymer that have a practical low melting point, exhibit excellent solubility in a general-purpose solvent, can be produced at low cost, and can produce an optical film that achieves uniform conversion of polarized light over a wide wavelength band, and also provide an optically anisotropic article. [In the formula: Y1 to Y8 are a chemical single bond, -O-, -O-C(=O)-, -O-C(=O)-O-, etc.; G1 and G2 are a divalent aliphatic group having 1 to 20 carbon atoms, etc.; Z1 and Z2 are an alkenyl group having 2 to 10 carbon atoms that is substituted with a halogen atom, or unsubstituted, etc.; Ax is a group represented by a formula (II), wherein X is a nitrogen atom, etc.; Ra and Rb are a hydrogen atom, an aromatic hydrocarbon ring group having 1 to 20 carbon atoms, etc.; Ay is a hydrogen atom, the group represented by the formula (II), etc.; A1 is a trivalent aromatic group, etc; A2 and A3 are a divalent alicyclic hydrocarbon group having 3 to 30 carbon atoms, etc.; A4 and A5 are a divalent aromatic group having 4 to 30 carbon atoms, etc.; Q1 is a hydrogen atom, an alkyl group having 1 to 6 carbon atoms, etc.]

  本发明涉及：由式（I）表示的可聚合化合物；包含该可聚合化合物和引发剂的可聚合组合物；通过聚合该可聚合化合物或可聚合组合物得到的聚合物；以及包含该聚合物的光学各向异性物品。本发明提供了一种可聚合化合物、一种可聚合组合物和一种聚合物，它们具有实用的低熔点，在通用溶剂中具有优异的溶解性，可以低成本生产，并且可以生产出一种光学薄膜，实现偏振光在宽波段上的均匀转换，还提供了一种光学各向异性物品。 式中Y1 至 Y8 是化学单键、-O-、-O-C(=O)-、-O-C(=O)-O-等；G1 和 G2 是具有 1 至 20 个碳原子的二价脂肪族基团等；Z1 和 Z2 是具有 2 至 10 个碳原子、被卤素原子取代或未被取代的烯基基团等；Ax 是由式（II）表示的基团，其中 X 是氮原子等。Ra 和 Rb 是氢原子、具有 1 至 20 个碳原子的芳香烃环基等；Ay 是氢原子、式 (II) 所代表的基团等；A1 是三价芳香基等；A2 和 A3 是具有 3 至 30 个碳原子的二价脂环烃基等；A4 和 A5 是具有 4 至 30 个碳原子的二价芳香基等；Q1 是氢原子、具有 1 至 6 个碳原子的烷基等。］
• Smith, Journal of the Chemical Society, 1923, vol. 123, p. 2294
  作者：Smith

  DOI：——

  日期：——
• Sytsch, Ukrainskij Khimicheskij Zhurnal, 1956, vol. 22, p. 80,82
  作者：Sytsch

  DOI：——

  日期：——