2-picoline sulfur trioxide complex | 18370-14-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-picoline sulfur trioxide complex
• 英文别名: Picoline Sulfur Trioxide；2-methylpyridine;sulfur trioxide
• CAS: 18370-14-4
• 化学式: C₆H₇N*O₃S
• 分子量: 173.192
• InChiKey: GZDNDVUJSARLLF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.39
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  65.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-picoline sulfur trioxide complex 、 (2S,5R)-6-hydroxy-2-(1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one 以 二氯甲烷 为溶剂， 反应 15.0h， 以96%的产率得到2-methylpyridin-1-ium (2S,5R)-2-(1,3,4-oxadiazol-2-yl)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl sulfate
  参考文献：
  名称：

  B-LACTAMASE INHIBITOR PICOLINE SALT

  摘要：

  提供的是用于合成β-内酰胺酶抑制剂的中间体，以及制造所述中间体和β-内酰胺酶抑制剂的方法。

  公开号：

  US20150094472A1
• 作为产物：
  描述：

  碳酸甲丙酯 在 氯磺酸 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 2-picoline sulfur trioxide complex
  参考文献：
  名称：

  B-LACTAMASE INHIBITOR PICOLINE SALT

  摘要：

  提供的是用于合成β-内酰胺酶抑制剂的中间体，以及制造所述中间体和β-内酰胺酶抑制剂的方法。

  公开号：

  US20150094472A1
• 作为试剂：
  描述：

  4-氯-2-氟苯胺 在 碳酸甲丙酯 、 2-picoline sulfur trioxide complex 作用下， 反应 1.0h， 生成 (4-Chloro-2-fluoro-phenyl)-sulfamic acid
  参考文献：
  名称：

  Structure−Taste Relationships for Disubstituted Phenylsulfamate Tastants Using Classification and Regression Tree (CART) Analysis

  摘要：

  Forty-two new disubstituted phenylsulfamates have been synthesized, and 30 of these have been combined with 40 already available from earlier work to create a training database of 70 compounds. On the basis of panel taste data these were divided into three categories, N (nonsweet), N/S (nonsweet/sweet), and ( S) sweet, and a "sweetness value" or weighting was also calculated for each compound. Using these 70 compounds as a training set and a series of nine predictors derived from Corey-Pauling-Koltun (CPK) models, calculated from the PC SPARTAN PRO program and Hammett sigma values taken from the literature, a classification and regression tree analysis ( CART) was carried out leading to a regression tree that correctly classified 62 of the 70 compounds (89% overall correct classification). The tree's predictive ability varies for the different taste categories, and for nonsweet compounds it is virtually 100%; for nonsweet/sweet compounds it is 66%, and for sweet compounds it is approximate to 75%. This tree correctly predicted taste categories for 10 compounds from a test set of 12 randomly selected from among the 42 new compounds (83% correct classification). Therefore, it can be used with a good degree of confidence to predict the tastes of disubstituted phenylsulfamates. For the design of new sweeteners, appropriate values or ranges of the descriptors are derived.

  DOI：

  10.1021/jf0606656

文献信息

• [EN] 7-OXO-6-(SULFOOXY)-1,6-DIAZABICYCLO[3.2.1]OCTANE-2-CARBOXAMIDE CONTAINING COMPOUNDS AND THEIR USE IN TREATING BACTERIAL INFECTIONS<br/>[FR] COMPOSÉS CONTENANT DU 7-OXO-6-(SULFO-OXY)-1,6-DIAZABICYCLO[3.2.1]OCTANE-2-CARBOXAMIDE ET LEUR UTILISATION DANS LE TRAITEMENT D'INFECTIONS BACTÉRIENNES
  申请人：WOCKHARDT LTD

  公开号：WO2017098425A1

  公开（公告）日：2017-06-15

  Compounds of Formula (I), their preparation, and use in preventing or treating a bacterial infection are disclosed. (I)

  化合物的公式（I），它们的制备以及在预防或治疗细菌感染中的用途被披露。（I）
• [EN] 7-OXO -6-(SULFOOXY)- 1,6-DIAZABICYCLO [3.2.1] OCTANE CONTAINING COMPOUNDS AND THEIR USE IN TREATMENT OF BACTERIAL INFECTIONS<br/>[FR] 7-OXO-6-(SULFOOXY)-1,6-DIAZABICYCLO[3.2.1] OCTANE CONTENANT DES COMPOSÉS ET LEUR UTILISATION DANS LE TRAITEMENT D'INFECTIONS BACTÉRIENNES
  申请人：WOCKHARDT LTD

  公开号：WO2017081615A1

  公开（公告）日：2017-05-18

  Compounds of Formula (I) or a stereoisomer or a pharmaceutically acceptable salt thereof, their preparation, and use in treating a bacterial infection are disclosed.

  化合物的公式（I）或其立体异构体或药学上可接受的盐，其制备以及在治疗细菌感染中的用途被披露。
• [EN] NITROGEN CONTAINING BICYCLIC COMPOUNDS AND THEIR USE IN TREATMENT OF BACTERIAL INFECTIONS<br/>[FR] COMPOSÉS BICYCLIQUES CONTENANT DE L'AZOTE ET LEUR UTILISATION DANS LE TRAITEMENT D'INFECTIONS BACTÉRIENNES
  申请人：WOCKHARDT LTD

  公开号：WO2017002089A1

  公开（公告）日：2017-01-05

  Compounds of Formula (I), their preparation, and use in preventing or treating a bacterial infection are disclosed.

  公式（I）的化合物，其制备方法以及在预防或治疗细菌感染中的用途被披露。
• [EN] A PROCESS FOR PREPARATION OF (2S, 5R)-N-(2-AMINO ETHOXY)-6-(SULFOOXY)-7-OXO-1,6- DIAZABICYCLO [3.2.1] OCTANE-2-CARBOXAMIDE<br/>[FR] PROCÉDÉ DE PRÉPARATION DE (2S, 5R)-N-(2-AMINOÉTHOXY)-6-(SULFOOXY)-7-OXO-1,6-DIAZABICYCLO[3.2.1]OCTANE-2-CARBOXAMIDE
  申请人：WOCKHARDT LTD

  公开号：WO2016120752A1

  公开（公告）日：2016-08-04

  A process for preparation of (2S,5R)-N-(2-aminoethoxy)-6-(sulfooxy)-7-oxo-1,6-diaza-bicyclo[3.2.1]octane-2-carboxamide is disclosed. Formula (I)

  揭示了一种制备(2S,5R)-N-(2-氨基乙氧基)-6-(磺氧基)-7-氧代-1,6-二氮杂双环[3.2.1]辛烷-2-羧酰胺的过程。公式(I)
• [EN] N-PHENYLALKOXY-7-OXO-6-SULFOOXY-1,6-DIAZABICYCLO[3.2.1]OCTANE-2-CARBOXAMIDE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS<br/>[FR] DÉRIVÉS DE N-PHÉNYLALCOXY-7-OXO-6-SULFOOXY-1,6-DIAZABICYCLO[3.2.1]OCTANE-2-CARBOXAMIDE ET LEUR UTILISATION EN TANT QU'AGENTS ANTIBACTÉRIENS
  申请人：WOCKHARDT LTD

  公开号：WO2017216763A1

  公开（公告）日：2017-12-21

  Compounds of Formula (I), or a stereoisomer or a pharmaceutically acceptable salt thereof, their preparation, pharmaceutical compositions comprising such compounds and their use in treating and/or preventing bacterial infections are disclosed.

  公式（I）的化合物，或其立体异构体或药学上可接受的盐，其制备方法，包含这些化合物的药物组合物以及它们在治疗和/或预防细菌感染中的用途被披露。