benzhydryl 2,2-dihydroxyacetate | 184223-80-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: benzhydryl 2,2-dihydroxyacetate
• CAS: 184223-80-1
• 化学式: C₁₅H₁₄O₄
• 分子量: 258.274
• InChiKey: GORPVKMLYQPBDJ-UHFFFAOYSA-N

物化性质

• 沸点：
  402.0±40.0 °C(Predicted)
• 密度：
  1.281±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  benzhydryl 2,2-dihydroxyacetate 在 氧气 、 三乙胺 、 N,N-二异丙基乙胺 作用下， 以 甲苯 、 乙腈 为溶剂， 反应 1.0h， 生成 (4R,5S,6S)-6-[(R)-1-(tert-Butyl-dimethyl-silanyloxy)-ethyl]-4-methyl-7-oxo-3-phenylsulfanyl-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid benzhydryl ester
  参考文献：
  名称：

  乙烯酮二硫缩醛封端的环化反应合成1β-甲基卡巴姆的新方法

  摘要：

  用烯酮二硫缩醛终止剂将醇5环化成碳青霉烯6是通过由相应的甲磺酸酯生成的酰基酰亚胺离子实现的。Carbapenams 6转化到碳青霉烯7通过1个Ò 2烯酮二硫缩醛部分，enolphosphorylation，和加成-消除过程的介导的裂解。

  DOI：

  10.1016/0040-4039(96)01785-6

文献信息

• NOVEL PENAM DERIVATIVE OR SALT THEREOF, PHARMACEUTICAL COMPOSITION, AND APPLICATIONS THEREOF
  申请人：FUJIFILM Corporation

  公开号：US20210024543A1

  公开（公告）日：2021-01-28

  An object of the present invention is to provide a compound and a pharmaceutical composition which exhibit strong antibacterial activity against Gram-negative bacteria and drug-resistant Gram-negative bacteria. A compound represented by General Formula [1] (the reference signs in Formula have the same definitions as those described in the present specification) or a salt thereof has strong antibacterial activity against Gram-negative bacteria such as Pseudomonas aeruginosa and drug-resistant Gram-negative bacteria including multidrug-resistant Pseudomonas aeruginosa , and the pharmaceutical composition containing the compound or a salt thereof is useful as an antibacterial agent.

  本发明的一个目的是提供一种化合物和药物组合物，对革兰氏阴性细菌和耐药革兰氏阴性细菌表现出强大的抗菌活性。由一般式[1]表示的化合物（式中的参考符号与本说明书中描述的相同定义）或其盐对革兰氏阴性细菌如铜绿假单胞菌和包括多重耐药铜绿假单胞菌在内的耐药革兰氏阴性细菌具有强大的抗菌活性，含有该化合物或其盐的药物组合物可用作抗菌剂。
• PHARMACEUTICAL COMPOSITION AND KIT CONTAINING NOVEL PENAM DERIVATIVE OR SALT THEREOF AND ONE OR MORE COMPOUNDS SELECTED FROM beta-LACTAMASE INHIBITORY COMPOUND AND ANTIBACTERIAL COMPOUND OR SALTS THEREOF
  申请人：FUJIFILM Corporation

  公开号：US20220241249A1

  公开（公告）日：2022-08-04

  An object of the present invention is to provide a pharmaceutical composition and a kit which exhibit strong antibacterial activity against Gram-negative bacteria and/or drug-resistant Gram-negative bacteria. A pharmaceutical composition and a kit containing a compound represented by General Formula [1] (the meaning of each reference numeral is as described above in the present specification) or a salt thereof and one or more compounds selected from a β-lactamase inhibitory compound and an antibacterial compound have strong antibacterial activity against Gram-negative bacteria such as Pseudomonas aeruginosa and/or drug-resistant Gram-negative bacteria including multidrug-resistant Pseudomonas aeruginosa , and are useful for treating infections caused by these bacteria.

  本发明的目的是提供一种药物组合物和套装，该组合物和套装对革兰氏阴性菌和/或耐药革兰氏阴性菌具有强烈的抗菌活性。包含由通式[1]表示的化合物（每个参考数字的含义如本规范中所述）或其盐和一种或多种从β-内酰胺酶抑制剂和抗菌化合物中选择的化合物的药物组合物和套装对革兰氏阴性菌，如铜绿假单胞菌和/或耐多种药物的铜绿假单胞菌等耐药革兰氏阴性菌具有强烈的抗菌活性，并且对于治疗由这些细菌引起的感染是有用的。
• A new synthetic method of 1β-methylcarbapenems utilizing the ketene dithioacetal-terminated cyclization
  作者：Osamu Sakurai、Hiroshi Horikawa

  DOI：10.1016/0040-4039(96)01785-6

  日期：1996.10

  Cyclization of alcohols 5 with the ketene dithioacetal terminator into carbapenams 6 was accomplished via the acyliminium ion generated from the corresponding mesylates. Carbapenams 6 were transformed into carbapenem 7 through 1O2-mediated cleavage of the ketene dithioacetal portion, enolphosphorylation, and addition-elimination processes.

  用烯酮二硫缩醛终止剂将醇5环化成碳青霉烯6是通过由相应的甲磺酸酯生成的酰基酰亚胺离子实现的。Carbapenams 6转化到碳青霉烯7通过1个Ò 2烯酮二硫缩醛部分，enolphosphorylation，和加成-消除过程的介导的裂解。