(2R,6R,7R)-3-亚甲基-7-[(4-甲基苯甲酰)氨基]-8-氧代-5-氧杂-1-氮杂双环[4.2.0]辛烷-2-羧酸二苯甲酯 | 68313-81-5

• 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: (2R,6R,7R)-3-亚甲基-7-[(4-甲基苯甲酰)氨基]-8-氧代-5-氧杂-1-氮杂双环[4.2.0]辛烷-2-羧酸二苯甲酯
• 中文别名: (2R,6R,7R)-3-亚甲基-7-[(4-甲基苯甲酰)氨基]-8-氧代-5-氧杂-1-氮杂双环[4.2.0]辛烷-2-羧酸二苯甲基酯
• 英文名称: diphenylmethyl (2R,6R,7R)-3-methylene-7-[(4-methylbenzoyl)amino]-8-oxo-5-oxa-1-azabicyclo[4.2.0]octane-2-carboxylate
• 英文别名: (2R,6R,7R)-Benzhydryl 7-(4-methylbenzamido)-3-methylene-8-oxo-5-oxa-1-azabicyclo[4.2.0]octane-2-carboxylate；benzhydryl (2R,6R,7R)-7-[(4-methylbenzoyl)amino]-3-methylidene-8-oxo-5-oxa-1-azabicyclo[4.2.0]octane-2-carboxylate
• CAS: 68313-81-5
• 化学式: C₂₉H₂₆N₂O₅
• 分子量: 482.536
• InChiKey: AOHGUDVDPXLJEP-VYKTZEHYSA-N

物化性质

• 密度：
  1.32

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  36
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  84.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (2R,6R,7R)-3-亚甲基-7-[(4-甲基苯甲酰)氨基]-8-氧代-5-氧杂-1-氮杂双环[4.2.0]辛烷-2-羧酸二苯甲酯 在 吡啶 、 次氯酸叔丁酯 、 氯 、 二乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 拉氧头孢杂质
  参考文献：
  名称：

  Design, synthesis and antibacterial activity of novel 1-oxacephem analogs

  摘要：

  A series of 1-oxacephem analogs were synthesized and their antibacterial properties against five strait is of Gram-positive and Gram-negative bacteria were evaluated in vitro while ceftazidine was selected as control. Some of the tested compounds, compound 12c in particular, showed more active against three selected strains than the standard. (C) 2012 Yong Wu. Published by Elsevier B.V, on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2012.01.014
• 作为产物：
  描述：

  diphenylmethyl 6β-(4-toluamido)penicillate 1-oxide 在 三甲基氯硅烷 、 氯 、 碳酸氢钠 、 三乙胺 、 三苯基膦 作用下， 以 水 、 乙酸乙酯 为溶剂， 生成 (2R,6R,7R)-3-亚甲基-7-[(4-甲基苯甲酰)氨基]-8-氧代-5-氧杂-1-氮杂双环[4.2.0]辛烷-2-羧酸二苯甲酯
  参考文献：
  名称：

  Design, synthesis and antibacterial activity of novel 1-oxacephem analogs

  摘要：

  A series of 1-oxacephem analogs were synthesized and their antibacterial properties against five strait is of Gram-positive and Gram-negative bacteria were evaluated in vitro while ceftazidine was selected as control. Some of the tested compounds, compound 12c in particular, showed more active against three selected strains than the standard. (C) 2012 Yong Wu. Published by Elsevier B.V, on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2012.01.014

文献信息

• 一种氧头孢烯母核中间体的制备方法
  申请人：山西海泰电子材料有限公司

  公开号：CN110372728A

  公开（公告）日：2019-10-25

  本发明公开了一种氧头孢烯母核中间体的制备方法，包括以下制备步骤：（1）、向反应容器中加入二氯甲烷，将化合物OXAOH（001）浓缩干燥后放入所述反应容器中，搅拌至（001）完全溶解于二氯甲烷中，得到混合溶液A；（2）、向步骤（1）得到的混合溶液A中加入三氟化硼乙醚，三氟化硼乙醚与所述混合溶液A中的（001）反应后得到(2R,6R,7R)‑3‑亚甲基‑7‑[(4‑甲基苯甲酰)氨基]‑8‑氧代‑5‑氧杂‑1‑氮杂双环[4.2.0]辛烷‑2‑羧酸二苯甲酯。本发明公开的氧头孢烯母核中间体的制备方法在反应过程中没有固体析出，由以前的固液反应变成了液液反应，加快了反应时间和反应速率，提高了反应液检测的准确度，提高了产品的质量，避免了取样误差，确保了产品的合格率，对生产有了更准确的指导。
• AOKI, TSUTOMU;JOSIOKA, JOSITSURU;NAGATA, BATAPY
  作者：AOKI, TSUTOMU、JOSIOKA, JOSITSURU、NAGATA, BATAPY

  DOI：——

  日期：——
• Design, synthesis and antibacterial activity of novel 1-oxacephem analogs
  作者：Yi He、Jian Bo Wu、Fan Lei、Pei Chen、Li Hai、Yong Wu

  DOI：10.1016/j.cclet.2012.01.014

  日期：2012.4

  A series of 1-oxacephem analogs were synthesized and their antibacterial properties against five strait is of Gram-positive and Gram-negative bacteria were evaluated in vitro while ceftazidine was selected as control. Some of the tested compounds, compound 12c in particular, showed more active against three selected strains than the standard. (C) 2012 Yong Wu. Published by Elsevier B.V, on behalf of Chinese Chemical Society. All rights reserved.