1-(2-naphthylthio)-propan-2-one | 79965-94-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1-(2-naphthylthio)-propan-2-one
• 英文别名: [2]naphthylsulfanyl-acetone；[2]Naphthylmercapto-aceton；1-(Naphthalen-2-ylsulfanyl)-propan-2-one；<2-Naphthyl-mercapto>-aceton；(2-Naphthylthio)-aceton；1-(Naphthalen-2-ylsulfanyl)propan-2-one；1-naphthalen-2-ylsulfanylpropan-2-one
• CAS: 79965-94-9
• 化学式: C₁₃H₁₂OS
• mdl: MFCD12145397
• 分子量: 216.304
• InChiKey: KKGBPYQWIYNBHG-UHFFFAOYSA-N

物化性质

• 熔点：
  119-120 °C(Solv: methanol (67-56-1))
• 沸点：
  153-155 °C(Press: 0.4 Torr)
• 密度：
  1.17±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.153
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(2-naphthylthio)-propan-2-one 在 N-溴代丁二酰亚胺(NBS) 、 过氧化氢苯甲酰 、 PPA 、 甲基三辛基氯化铵 作用下， 以 水 、 苯 为溶剂， 反应 5.5h， 生成 1-cyanomethylnaphtho<2,1-b>thiophene
  参考文献：
  名称：

  Tominaga, Yoshinori; Lee, Milton L.; Castle, Raymond N., Journal of Heterocyclic Chemistry, 1981, vol. 18, p. 977 - 979

  摘要：

  DOI：
• 作为产物：
  描述：

  sodium 2-naphthalenethiolate 、 一氯丙酮 生成 1-(2-naphthylthio)-propan-2-one
  参考文献：
  名称：

  The synthesis of chiral β-ketosulfoxides by enantioselective oxidation and their stereocontrolled reduction to β-hydroxysulfoxides

  摘要：

  Various chiral non-racemic beta-ketosulfoxides, a class of compounds frequently used in asymmetric synthesis, were prepared in good yields by tert-butyl hydroperoxide oxidation of the corresponding sulfides in the presence of a complex between titanium and (S,S)-hydrobenzoin. The ee values of almost all of the purified products were > 98%. As ascertained by X-ray analysis and/or by NMR spectroscopy, the use of the (S,S)-form of the ligand led to aryl beta-ketosulfoxides with (R-S)-configuration and to methyl phenacyl sulfoxide with the (S-S)-configuration. Some of the aryl ketosulfoxides were subjected to reduction with DIBAL-H/ZnCl2 and the corresponding beta-sulfinylalcohols with an (R,R-S)-configuration produced. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2005.12.004

文献信息

• Bisaryl-sulfonamides
  申请人：Bergeron Philippe

  公开号：US20060084802A1

  公开（公告）日：2006-04-20

  Compounds, compositions and methods are provided that are useful in the treatment or prevention of a condition or disorder mediated by PPARγ or PPARδ. In particular, the compounds of the invention modulate the function of PPARγ or PPARδ. The subject methods are particularly useful in the treatment and/or prevention of diabetes, obesity, hypercholesterolemia, rheumatoid arthritis and atherosclerosis.

  提供了在治疗或预防由PPARγ或PPARδ介导的疾病或紊乱方面有用的化合物、组合物和方法。具体来说，本发明的化合物调节PPARγ或PPARδ的功能。该方法特别适用于治疗和/或预防糖尿病、肥胖症、高胆固醇血症、类风湿性关节炎和动脉粥样硬化。
• Chemoenzymatic synthesis of β-hydroxyl-sulfoxides by a two-step reaction of enzymatic reduction using Pseudomonas monteilii species and sulfoxidation with chiral titanium complexe
  作者：Baodong Cui、Min Yang、Jing Shan、Lei Qin、Ziyan Liu、Nanwei Wan、Wenyong Han、Yongzheng Chen

  DOI：10.1016/j.tet.2017.07.014

  日期：2017.8

  A two-step enantioselective synthetic strategy for the preparation of β-hydroxyl-sulfoxides has been described. With the enzymatic reduction of β-ketosulfides using Pseudomonas monteilii ZMU-T04 followed by the asymmetric sulfoxidation with Ti(OiPr)4/(S)-BINOL complexe, a wide range of corresponding β-hydroxyl-sulfoxide derivatives were smoothly obtained with excellent stereoselectivities (up to 99:1

  已经描述了用于制备β-羟基亚砜的两步对映体选择性合成策略。通过使用Montesii monteilii ZMU-T04酶促还原β-酮硫醚，然后用Ti（O i Pr）4 /（S）-BINOL络合物进行不对称硫氧化，可以顺利地获得各种相应的β-羟基-亚砜衍生物。出色的立体选择性（高达99：1 dr和> 99％ee）。在控制实验的基础上，还提出了在β-羟基硫醚不对称硫氧化反应中，钛配合物可能存在的螯合物结构。
• α-Benzoyloxylation of β-keto sulfides at ambient temperature
  作者：Enrico Piras、Francesco Secci、Pierluigi Caboni、Maria Francesca Casula、Angelo Frongia

  DOI：10.1039/c7ra10888e

  日期：——

  A facile and efficient protocol for the α-benzoyloxylation of β-keto sulfides is presented. This methodology provides a step-economical, mild and practical access to highly functionalized α-O-benzoyloxy substituted β-keto sulfides, including those with quaternary carbons, which are not easily obtained through currently available methods.

  提出了一种简便而有效的方案，用于β-酮硫醚的α-苯甲酰氧基化。这种方法学提供了经济高效，温和实用的步骤，可轻松获得高度官能化的α - O-苯甲酰氧基取代的β-酮硫醚，包括那些具有季碳的硫醚，而这些硫醚很难通过现有方法获得。
• Methods and compositions for treating cervical cancer
  申请人：——

  公开号：US20040229298A1

  公开（公告）日：2004-11-18

  The invention provides methods and compositions for treating pathogen infections, particularly human papillomavirus infections. Specifically, the invention provides a method of screening that involves determining an effect of a candidate agent on binding of an E6 protein from an oncogenic strain of HPV to a polypeptide containing the amino acid sequence of a particular PDZ domain from the cellular protein MAGI-1. The invention provides methods to treat diseases associated with expression of pathogen proteins by modulating their interactions with MAGI-1, and a number of isolated peptides useful in such methods. Also provided are kits for performing the subject methods.

  本发明提供了治疗病原体感染，特别是人类乳头瘤病毒感染的方法和组合物。具体而言，本发明提供了一种筛选方法，该方法涉及确定候选制剂对来自人乳头瘤病毒致癌株的 E6 蛋白与含有细胞蛋白 MAGI-1 中特定 PDZ 结构域氨基酸序列的多肽结合的影响。本发明提供了通过调节病原体蛋白与 MAGI-1 的相互作用来治疗与病原体蛋白表达有关的疾病的方法，以及在此类方法中有用的一些分离肽。本发明还提供了用于实施上述方法的试剂盒。
• Banfield et al., Journal of the Chemical Society, 1956, p. 4791,4798
  作者：Banfield et al.

  DOI：——

  日期：——