3-甲苯磺酰-6-噁-双环[3.1.0]己烷 | 159555-66-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-甲苯磺酰-6-噁-双环[3.1.0]己烷
• 中文别名: 3-甲苯磺酰-6-氧杂-3-氮杂双环[3.1.0]己烷
• 英文名称: 3-(toluene-4-sulfonyl)-6-oxa-3-azabicyclo[3.1.0]hexane
• 英文别名: 3-[(4-methylphenyl)sulfonyl]tetrahydro-1aH-oxireno[2,3-c]pyrrole；N-tosyl-3,4-epoxypyrrolidine；3-tosyl-6-oxa-3-azabicyclo[3.1.0]hexane；3-(toluene-4-sulphonyl)-6-oxa-3-aza-bicyclo[3.1.0]hexane；3-[(4-methylphenyl)sulfonyl]-6-oxa-3-azabicyclo[3.1.0]hexane；3-(4-methylphenyl)sulfonyl-6-oxa-3-azabicyclo[3.1.0]hexane
• CAS: 159555-66-5
• 化学式: C₁₁H₁₃NO₃S
• 分子量: 239.295
• InChiKey: SCYGCDFRJNHFNV-UHFFFAOYSA-N

物化性质

• 熔点：
  149-150 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
• 沸点：
  391.4±52.0 °C(Predicted)
• 密度：
  1.382±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  58.3
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  3-甲苯磺酰-6-噁-双环[3.1.0]己烷 在 吡啶 、 苄基三乙基氯化铵 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 乙腈 为溶剂， 反应 104.0h， 生成 3-(4-methylbenzenesulfonyl)-6-(2,4,6-triisopropylbenzenesulfonyl)-3,6-diazabicyclo[3.1.0]hexane
  参考文献：
  名称：

  The output of amplified spontaneous emission lasers

  摘要：

  The output of amplified spontaneous emission (ASE) lasers such as X-ray lasers operated without mirrors is calculated exactly for Gaussian and Lorentzian small signal gain profiles by a simple Taylor series expansion. The accuracy of the 'Linford' formula commonly used as an approximation for the output of ASE lasers is evaluated by comparison to our exact solutions. The Linford formula is accurate to better than 10% for intensities produced by a Gaussian gain profile, but requires multiplication by a correction factor of at gain length product greater than 5 for Lorentzian gain profiles. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.jqsrt.2006.02.064
• 作为产物：
  描述：

  N-(对甲苯磺酰)-3-吡咯啉 在 edetate disodium Oxone 、 1,1,1-三氟丙酮 、 碳酸氢钠 作用下， 以 水 、 乙腈 为溶剂， 以98%的产率得到3-甲苯磺酰-6-噁-双环[3.1.0]己烷
  参考文献：
  名称：

  Organolithium-induced synthesis of acyclic unsaturated amino alcohols from epoxides of dihydropyrroles and tetrahydropyridines

  摘要：

  The alkylative double ring-opening of Bus-protected 2,5-dihydropyrrole epoxides 13 and 29 with organolithiums to give 3-substituted 1-aminobut-3-en-2-ols 13-19 and 30-32 are described. Bus-protected tetrahydropyridine epoxide 38 reacts with organolithiums to give 4-substituted 1-aminobut-4-en-3-ols 39 and tetrahydropyridinol 40. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2003.10.010

文献信息

• Enantioselective Cross-Coupling of <i>meso</i>-Epoxides with Aryl Halides
  作者：Yang Zhao、Daniel J. Weix

  DOI：10.1021/jacs.5b01909

  日期：2015.3.11

  The first enantioselective cross-electrophile coupling of aryl bromides with meso-epoxides to form trans-β-arylcycloalkanols is presented. The reaction is catalyzed by a combination of (bpy)NiCl2 and a chiral titanocene under reducing conditions. Yields range from 57 to 99% with 78–95% enantiomeric excess. The 30 examples include a variety of functional groups (ether, ester, ketone, nitrile, ketal

  首次提出了芳基溴化物与内消旋环氧化物形成反式-β-芳基环烷醇的对映选择性交叉亲电偶联。该反应由(bpy)NiCl 2 和手性二茂钛在还原条件下的组合催化。产率范围为 57% 至 99%，对映体过量为 78-95%。这 30 个例子包括各种官能团（醚、酯、酮、腈、缩酮、三氟甲基、磺酰胺、磺酸酯）、芳基和乙烯基卤化物以及五至七元环。一氧化环辛烯向芳基[3.3.0]双环辛醇的转化强烈暗示了碳自由基的中介作用。
• Use of 7-(2-oxa-5,8-diazabicyclo[4.3.0]non-8-yl)-quinolone carboxylic
  申请人：Bayer Aktiengesellschaft

  公开号：US06133260A1

  公开（公告）日：2000-10-17

  The invention relates to the use of quinolone- and naphthyridonecarboxylic acid derivatives which are substituted in the 7-position by a 2-oxa-5,8-diazabicyclo[4.3.0]-non-8-yl) radical, and their pharmaceutically utilizable hydrates and/or salts for the therapy of Helicobacter pylori infections and the gastroduodenal disorders associated therewith.

  该发明涉及使用在7位被2-氧杂-5,8-二氮杂双环[4.3.0]-壬-8-基基团取代的喹诺酮和萘啶酮羧酸衍生物，以及它们的药用水合物和/或盐来治疗幽门螺杆菌感染及相关的胃十二指肠疾病。
• CYCLOALKOXY-SUBSTITUTED 4-PHENYL-3,5-DICYANOPYRIDINES AND THEIR USE
  申请人：Hübsch Walter

  公开号：US20110021487A1

  公开（公告）日：2011-01-27

  The present application relates to novel cycloalkoxy-substituted 4-phenyl-3,5-dicyanopyridine derivatives, to processes for their preparation, to their use for the treatment and/or prevention of diseases and to their use for preparing medicaments for the treatment and/or prevention of diseases, preferably for the treatment and/or prevention of cardiovascular and metabolic disorders.

  本申请涉及新型环烷氧基取代的4-苯基-3,5-二氰基吡啶衍生物，其制备方法，其用于治疗和/或预防疾病的用途以及其用于制备治疗和/或预防疾病的药物的用途，优选用于治疗和/或预防心血管和代谢性疾病。
• USE OF 7-(2-OXA-5,8-DIAZABICYLCO&lsqb;4.3.0&rsqb;NON-8-YL)-QUINOLONE CARBOXYLIC ACID AND NAPHTHYRIDON CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF HELIOBACTER PYLORI INFECTIONS AND ASSOCIATED GASTRODUODENAL DISEASES
  申请人：Bayer Aktiengesellschaft

  公开号：US06432948B1

  公开（公告）日：2002-08-13

  The invention relates to the use of quinolone- and naphthyridonecarboxylic acid derivatives, which are substituted in the 7-position by a 2-oxa-5,8-diazabicyclo[4.3.0]-non-8-yl) radical, and their pharmaceutically utilizable hydrates and/or salts for the therapy of Helicobacter pylori infections and the gastroduodenal disorders associated therewith.

  本发明涉及使用在7位上被2-氧杂-5,8-二氮杂双环[4.3.0]壬-8-基基团取代的喹诺酮和萘啶酮羧酸衍生物及其药用水合物和/或盐，用于治疗幽门螺杆菌感染和与之相关的胃十二指肠疾病。
• Ti(III)-Catalyzed Anti-Markovnikov Reduction of Epoxides with Borohydride
  作者：Guangchen Li、Jack R. Norton

  DOI：10.1021/acs.orglett.3c04304

  日期：2024.2.23

  We have developed a Ti catalyst that carries out the anti-Markovnikov reduction of a wide range of epoxides; [BH4]− is used as both the electron and the hydrogen atom source. It requires only mild conditions and accommodates a broad range of epoxide substrates. The Ti catalyst is readily available and is environmentally friendly.

  我们开发了一种钛催化剂，可以对多种环氧化物进行反马尔可夫尼科夫还原； [BH 4 ] -用作电子源和氢原子源。它只需要温和的条件并适应多种环氧化物底物。钛催化剂易于获得且对环境友好。