1-[3-(乙酰基氧基)-1-氮杂啶]乙酮 | 143329-27-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环丁烷
• 中文名称: 1-[3-(乙酰基氧基)-1-氮杂啶]乙酮
• 中文别名: 1-乙酰基氮杂环丁烷-3-乙酸乙酯；1-乙酰基-3-乙酰氧基氮杂环丁烷；1-乙酰基-3-乙酰氧基吖丁啶
• 英文名称: 1-acetyl-3-acetoxyazetidine
• 英文别名: N-acetyl-3-acetoxyazetidine；1-acetyl-3-azetidinol acetate ester；3-Acetoxy-1-acetylazetidine；(1-acetylazetidin-3-yl) acetate
• CAS: 143329-27-5
• 化学式: C₇H₁₁NO₃
• mdl: MFCD09264398
• 分子量: 157.169
• InChiKey: PGKVFVRMFNJADI-UHFFFAOYSA-N

物化性质

• 沸点：
  263.7±33.0 °C(Predicted)
• 密度：
  1.17±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.714
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  1-[3-(乙酰基氧基)-1-氮杂啶]乙酮 在 盐酸 作用下， 以 水 为溶剂， 反应 4.0h， 以100%的产率得到3-羟基氮杂环丁烷盐酸盐
  参考文献：
  名称：

  Acylative Dealkylation of N-tert-Butyl-3-substituted Azetidines:  Facile Access to [1.1.0]Azabicyclobutane, 3-Hydroxyazetidinium Hydrochloride, and 3-Azetidinones

  摘要：

  A novel acylative dealkylation of N-tert-butylazetidines and its application to the facile high-yield syntheses of [1.1.0]azabicyclobutane, 3-hydroxyazetidinium hydrochloride, and 3-azetidinones is described.

  DOI：

  10.1021/jo9602579
• 作为产物：
  描述：

  N-二苯甲基氮杂环丁烷-3-醇 、 乙酸酐 在 三氟化硼乙醚 作用下， 反应 96.0h， 以41%的产率得到1-[3-(乙酰基氧基)-1-氮杂啶]乙酮
  参考文献：
  名称：

  叔胺方便的酰基脱烷基

  摘要：

  DOI：

  10.1021/jo991525g

文献信息

• Aryloxy and aryloxyalklazetidines as antiarrhythmic and anticonvulsant
  申请人：A. H. Robins Company, Incorporated

  公开号：US05130309A1

  公开（公告）日：1992-07-14

  Methods of treating cardiac arrhythmias and convulsions in warm-blooded animas and pharmaceutical compositions therefor are disclosed. The compounds useful in the methods of treatment and compositions are represented by the formula ##STR1## where n is 0 to 3 and R is H, C.sub.1 -C.sub.4 alkyl or arylalkyl and Ar is phenyl or substituted phenyl.

  本文揭示了治疗温血动物心律失常和惊厥的方法，以及用于此类方法的药物组合物。用于治疗方法和组合物中有用的化合物由以下式表示：##STR1##其中n为0至3，R为H、C.sub.1 -C.sub.4烷基或芳基烷基，Ar为苯基或取代苯基。
• Photodimerization of N-acetyl-2-azetine: Synthesis of syn-diazatricyclooctane and anti-diazatricyclooctane (diaza-3-ladderane)
  作者：Paritosh R Dave、Rajagopal Duddu、Jianchang Li、Rao Surapaneni、Richard Gilardi

  DOI：10.1016/s0040-4039(98)01138-1

  日期：1998.7

  Photodimerization of N-acetyl-2-azetine to yield both possible head to head dimers with syn and anti geometries is described.

  描述了N-乙酰基-2-氮杂环丁烷的光二聚化以产生具有顺式和反式几何结构的可能的头对头二聚体。
• INFLUENZA VIRUS REPLICATION INHIBITOR AND USE THEREOF
  申请人：Sunshine Lake Pharma Co., Ltd.

  公开号：EP3686201A1

  公开（公告）日：2020-07-29

  Disclosed are a compound as shown in formula (I) as an influenza virus replication inhibitor and a preparation method therefor, a pharmaceutical composition comprising the compound and the use of the compound and pharmaceutical composition thereof in the treatment of influenza.

  公开了作为流感病毒复制抑制剂的式 (I) 所示化合物及其制备方法、包含该化合物的药物组合物以及该化合物及其药物组合物在治疗流感中的用途。
• Substituted polycyclic pyridone derivatives and prodrugs thereof
  申请人：Shionogi & Co., Ltd.

  公开号：US10633397B2

  公开（公告）日：2020-04-28

  The present invention provides the following compounds having anti-viral activity. A1 is CR1AR1B, S or O; A2 is CR2AR2B, S or O; A3 is CR3AR3B, S or O; A4 is CR4AR4B, S or O; the number of hetero atoms among atoms constituting the ring which consists of A1, A2, A3, A4, nitrogen atom adjacent to A1 and carbon atom adjacent to A1, is 1 or 2; R1A and R1B are each independently hydrogen, halogen, alkyl, or the like; R2A and R2B are each independently hydrogen, halogen, alkyl, or the like; R3A and R3B are each independently hydrogen, halogen, alkyl, or the like; R4A and R4B are each independently hydrogen, halogen, alkyl, or the like; R3A and R3B may be taken together to form non-aromatic carbocycle or non-aromatic heterocycle; X is CH2, S or O; R1 is each independently halogen, hydroxy, or the like; m is any integer of 0 to 2; and n is any integer of 1 to 2.

  本发明提供了以下具有抗病毒活性的化合物。 A1 是 CR1AR1B、S 或 O； A2 是 CR2AR2B、S 或 O； A3 是 CR3AR3B、S 或 O； A4 是 CR4AR4B、S 或 O； 由 A1、A2、A3、A4、与 A1 相邻的氮原子和与 A1 相邻的碳原子构成的环的原子中杂原子的数目为 1 或 2； R1A 和 R1B 各自独立地为氢、卤素、烷基或类似物； R2A 和 R2B 各自独立地为氢、卤素、烷基或类似物； R3A 和 R3B 各自独立地为氢、卤素、烷基或类似物； R4A 和 R4B 各自独立地为氢、卤素、烷基或类似物； R3A 和 R3B 可共同形成非芳香族碳环或非芳香族杂环； X 是 CH2、S 或 O； R1 各自独立地为卤素、羟基或类似物； m 是 0 至 2 的整数；以及 n 是 1 到 2 的任意整数。
• SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES AND PRODRUGS THEREOF
  申请人：Shionogi & Co., Ltd.

  公开号：US20180118760A1

  公开（公告）日：2018-05-03

  The present invention provides the following compounds having anti-viral activity. A 1 is CR 1A R 1B , S or O; A 2 is CR 2A R 2B , S or O; A 3 is CR 3A R 3B , S or O; A 4 is CR 4A R 4B , S or O; the number of hetero atoms among atoms constituting the ring which consists of A 1 , A 2 , A 3 , A 4 , nitrogen atom adjacent to A 1 and carbon atom adjacent to A 1 , is 1 or 2; R 1A and R 1B are each independently hydrogen, halogen, alkyl, or the like; R 2A and R 2B are each independently hydrogen, halogen, alkyl, or the like; R 3A and R 3B are each independently hydrogen, halogen, alkyl, or the like; R 4A and R 4B are each independently hydrogen, halogen, alkyl, or the like; R 3A and R 3B may be taken together to form non-aromatic carbocycle or non-aromatic heterocycle; X is CH 2 , S or O; R 1 is each independently halogen, hydroxy, or the like; m is any integer of 0 to 2; and n is any integer of 1 to 2.