1-苄基-2-甲基氮杂环丁烷-2-羧酸甲酯 | 681456-87-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 1-苄基-2-甲基氮杂环丁烷-2-羧酸甲酯
• 英文名称: N-benzyl-2-methoxycarbonyl-2-methylazetidine
• 英文别名: Methyl 1-benzyl-2-methylazetidine-2-carboxylate
• CAS: 681456-87-1
• 化学式: C₁₃H₁₇NO₂
• 分子量: 219.283
• InChiKey: QGWMCHHETIEPNT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-苄基-2-甲基氮杂环丁烷-2-羧酸甲酯 在 二异丁基氢化铝 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 生成 N-benzyl-2-methyl-2-formylazetidine
  参考文献：
  名称：

  Selective Synthesis of Eight-Membered Cyclic Ureas by the [6 + 2] Cycloaddition Reaction of 2-Vinylazetidines and Electron-Deficient Isocyanates

  摘要：

  The [6 + 2] cycloaddition reaction of 2-vinylazetidines with electron-deficient isocyanates such as tosyl Isocyanate proceeded smoothly in the absence of the catalyst at room temperature, and various cyclic ureas were isolated in good to high yields. Electron-deficient allenes also reacted with the 2-vinylazetidine, and the corresponding azocine derivatives were isolated.

  DOI：

  10.1021/ol902299p
• 作为产物：
  描述：

  1-benzyl-4-methoxycarbonyl-4-methyl-2-azetidinone 在 tris(triphenylphosphine)rhodium(I) carbonyl hydride 、 二苯基硅烷 作用下， 以 四氢呋喃 为溶剂， 反应 15.0h， 以71%的产率得到1-苄基-2-甲基氮杂环丁烷-2-羧酸甲酯
  参考文献：
  名称：

  Selective Synthesis of Eight-Membered Cyclic Ureas by the [6 + 2] Cycloaddition Reaction of 2-Vinylazetidines and Electron-Deficient Isocyanates

  摘要：

  The [6 + 2] cycloaddition reaction of 2-vinylazetidines with electron-deficient isocyanates such as tosyl Isocyanate proceeded smoothly in the absence of the catalyst at room temperature, and various cyclic ureas were isolated in good to high yields. Electron-deficient allenes also reacted with the 2-vinylazetidine, and the corresponding azocine derivatives were isolated.

  DOI：

  10.1021/ol902299p

文献信息

• [EN] AZETIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES<br/>[FR] DÉRIVÉS D'AZÉTIDINE UTILES POUR LE TRAITEMENT DE MALADIES MÉTABOLIQUES ET INFLAMMATOIRES
  申请人：GALAPAGOS NV

  公开号：WO2012098033A1

  公开（公告）日：2012-07-26

  Compounds are disclosed that have a formula represented by the following: These compounds may be prepared as a pharmaceutical composition, and may be used for the prevention and treatment of a variety of conditions in mammals including humans, including by way of non-limiting example inflammatory conditions, infectious diseases, autoimmune diseases, diseases involving impairment of immune cell functions, cardiometabolic diseases, and/or proliferative diseases.

  披露了具有以下表示的公式的化合物：这些化合物可以制备为药物组合物，并可用于预防和治疗包括人类在内的哺乳动物的各种疾病，例如炎症性疾病、传染病、自身免疫疾病、涉及免疫细胞功能受损的疾病、心脏代谢疾病和/或增殖性疾病，举例不限。
• NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES
  申请人：Sanière Laurent Raymond Maurice

  公开号：US20130303515A1

  公开（公告）日：2013-11-14

  Compounds are disclosed that have a formula represented by the following: These compounds may be prepared as a pharmaceutical composition, and may be used for the prevention and treatment of a variety of conditions in mammals including humans, including by way of non-limiting example inflammatory conditions, infectious diseases, autoimmune diseases, diseases involving impairment of immune cell functions, cardiometabolic diseases, and/or proliferative diseases.

  公开了具有以下式子表示的化合物：这些化合物可以制备成药物组合物，并可用于哺乳动物，包括人类的预防和治疗，例如炎症性疾病、传染病、自身免疫疾病、涉及免疫细胞功能受损的疾病、心脏代谢疾病和/或增殖性疾病等。
• AZETIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES
  申请人：Galapagos NV

  公开号：EP2665704A1

  公开（公告）日：2013-11-27
• US8759334B2
  申请人：——

  公开号：US8759334B2

  公开（公告）日：2014-06-24
• [EN] SUBSTITUTED AZETIDINES, MANUFACTURING AND USE THEREOF AS MEDICAMENTS<br/>[FR] AZÉTIDINES SUBSTITUÉES, LEUR PRÉPARATION ET LEUR UTILISATION SOUS FORME DE MÉDICAMENTS
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2008135525A2

  公开（公告）日：2008-11-13

  [EN] The present invention relates to new substituted carboxylic acid amides of general formula (I), wherein D, L, E, G, M, R³, R⁴, R⁵ et R¹³ are defined as in the specification, the tautomers, the enantiomers, the diastereomers, the mixtures thereof and the salts thereof, particularly the physiologically acceptable salts thereof with inorganic or organic acids or bases, which have valuable properties.
  [FR] L'invention concerne de nouveaux amides d'acide carboxylique substitués représentés par la formule générale (I), dans laquelle D, L, E, G, M, R³, R⁴, R⁵ et R¹³ correspondent à leur définition de la spécification, leurs tautomères, leurs énantiomères, leurs diastéréomères, leurs mélanges et leurs sels, en particulier, leurs sels acceptables sur le plan physiologique associés à des bases ou à des acides organiques ou inorganiques, qui possèdent des propriétés estimables.