N-[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-2-yl]formamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂卓
• 英文名称: N-[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-2-yl]formamide
• 化学式: C₁₄H₁₇N₃O₃
• 分子量: 275.3
• InChiKey: MAVIXFADDCZYQG-OLZOCXBDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  61.9
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• NITROGEN CONTAINING COMPOUNDS AND THEIR USE
  申请人：Patil Vijaykumar Jagdishwar

  公开号：US20140088070A1

  公开（公告）日：2014-03-27

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

  公式（I）的化合物、它们的制备以及在预防或治疗细菌感染中的应用被披露。
• METHOD FOR PREPARING AVIBACTAM INTERMEDIATE
  申请人：Xinfa Pharmaceutical Co., Ltd

  公开号：EP3543236A1

  公开（公告）日：2019-09-25

  The present invention discloses a method for preparing an intermediate for avibactam, and specifically relates to a method for preparing ([(2S,5R)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-6-yl]oxy}sulfonyl)tetrabutylammo nium salt (II). With 5R- [(benzyloxy) amino] piperidine-2S- carboxylate oxalate (III) as the raw material is reacted with the amide of Formula IV via amidation to prepare the compound of Formula V; the resulting compound of Formula V is reacted with the carbonylation reagent via urea cyclization to obtain the compound of Formula VI; the benzyl or the substituted benzyl in the compound of Formula VI is removed by catalytic hydro generation, then the resulting compound is sulfatated by sulfur trioxide complex and is salinized into tetrabutylammonium to obtain the final product (II). The reaction condition for the process of the present application is easily operable; the preparing process has a strong operability, a simple process, a low cost, less byproducts, and a high reaction atomic economy; the obtained product (II) has a high purity and a high yield.

  本发明公开了一种阿维菌素中间体的制备方法，具体涉及一种制备([(2S,5R)-2-氨基甲酰基-7-氧代-1,6-二氮杂双环[3.2.1]辛-6-基]氧基}磺酰基)四丁基铵盐(II)的方法。以 5R-[（苄氧基）氨基]哌啶-2S-羧酸草酸盐（III）为原料，通过酰胺化反应与式 IV 的酰胺反应，制备式 V 的化合物；得到的式 V 的化合物通过脲环化反应与羰基化试剂反应，得到式 VI 的化合物；通过催化加氢脱除式 VI 化合物中的苄基或取代苄基，然后用三氧化硫络合物对所得化合物进行硫 酸化，并盐析成四丁基铵，得到最终产物(II)。本申请工艺的反应条件易于操作；制备过程可操作性强，工艺简单，成本低，副产物少，反应原子经济性高；得到的产物（II）纯度高，收率高。
• Process for preparing an intermediate for avibactam
  申请人：XINFA PHARMACEUTICAL CO., LTD

  公开号：US10570132B2

  公开（公告）日：2020-02-25

  A method for preparing an intermediate for avibactam, and specifically relates to a method for preparing ([(2S,5R)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-6-yl]oxy}sulfonyl)tetrabutylammonium salt (II). With 5R-[(benzyloxy) amino] piperidine-2S-carboxylate oxalate (III) as the raw material is reacted with the amide of Formula IV via amidation to prepare the compound of Formula V; the resulting compound of Formula V is reacted with the carbonylation reagent via urea cyclization to obtain the compound of Formula VI; the benzyl or the substituted benzyl in the compound of Formula VI is removed by catalytic hydrogeneration, then the resulting compound is sulfatated by sulfur trioxide complex and is salinized into tetrabutylammonium to obtain the final product (II).

  一种制备阿维巴坦中间体的方法，具体涉及一种制备([(2S,5R)-2-氨基甲酰基-7-氧代-1,6-二氮杂双环[3.2.1]辛-6-基]氧基}磺酰基)四丁基铵盐(II)的方法。以 5R-[（苄氧基）氨基]哌啶-2S-羧酸草酸盐（III）为原料，通过酰胺化反应与式 IV 的酰胺反应，制备式 V 的化合物；得到的式 V 的化合物通过脲环化反应与羰基化试剂反应，得到式 VI 的化合物；通过催化加氢脱除式 VI 化合物中的苄基或取代的苄基，然后用三氧化硫络合物对所得化合物进行硫 酸化，并盐析成四丁基铵，得到最终产物 (II)。
• PROCESS FOR PREPARING AN INTERMEDIATE FOR AVIBACTAM
  申请人：XINFA PHARMACEUTICAL CO., LTD

  公开号：US20190263812A1

  公开（公告）日：2019-08-29

  A method for preparing an intermediate for avibactam, and specifically relates to a method for preparing ([(2S,5R)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-6-yl]oxy}sulfonyl)tetrabutylammonium salt (II). With 5R-[(benzyloxy) amino] piperidine-2S-carboxylate oxalate (III) as the raw material is reacted with the amide of Formula IV via amidation to prepare the compound of Formula V; the resulting compound of Formula V is reacted with the carbonylation reagent via urea cyclization to obtain the compound of Formula VI; the benzyl or the substituted benzyl in the compound of Formula VI is removed by catalytic hydrogeneration, then the resulting compound is sulfatated by sulfur trioxide complex and is salinized into tetrabutylammonium to obtain the final product (II).
• US8754102B2
  申请人：——

  公开号：US8754102B2

  公开（公告）日：2014-06-17