1-(氯亚甲基)六氢-1H-氮杂卓鎓氯化物 | 58570-32-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环庚烷
• 中文名称: 1-(氯亚甲基)六氢-1H-氮杂卓鎓氯化物
• 英文名称: hexahydro-1H-azepin-1-yl-chloroformiminium chloride
• 英文别名: 1-(chloromethylene)hexahydro-1H-azepinium chloride；chloro-N,N-hexamethyleneformiminium chloride；1-chloromethylenehexamethyleneiminium chloride；1-(chloromethylidene)azepan-1-ium;chloride
• CAS: 58570-32-4
• 化学式: C₇H₁₃ClN*Cl
• 分子量: 182.093
• InChiKey: YLTCHMNOGUJLDL-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.16
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-(氯亚甲基)六氢-1H-氮杂卓鎓氯化物 、 (2S,4S,6R,7R)-7-Amino-4-methyl-8-oxo-5-thia-1-aza-tricyclo[4.2.0.0^2,4]octane-2-carboxylic acid 在 三甲基氯硅烷 、 三乙胺 作用下， 以 氯仿 为溶剂， 反应 1.0h， 生成 2S-(2α,4α,6α,7β)-7-<(Hexahydro-1H-azepin-1-yl)methyleneamino>-4-methyl-8-oxo-5-thia-1-azatricyclo<4.2.0.0^2.4>octane-2-carboxylic acid
  参考文献：
  名称：

  A comparison of the antibacterial and β-lactamase inhibiting properties of penam and (2,3)-β-methylenepenam derivatives

  摘要：

  DOI：

  10.1016/s0040-4020(01)92137-4
• 作为产物：
  描述：

  六氢-1H-氮杂卓-1-甲醛 在 草酰氯 作用下， 以 氯仿 为溶剂， 反应 1.0h， 生成 1-(氯亚甲基)六氢-1H-氮杂卓鎓氯化物
  参考文献：
  名称：

  A comparison of the antibacterial and β-lactamase inhibiting properties of penam and (2,3)-β-methylenepenam derivatives

  摘要：

  DOI：

  10.1016/s0040-4020(01)92137-4

文献信息

• 6-amido-1-methyl carbapenems
  申请人：Merck & Co., Inc.

  公开号：US05138050A1

  公开（公告）日：1992-08-11

  New antibacterial 6-amido-1-methylcarbapenems and process for their synthesis involving new azetidinone intermediates.

  新型抗细菌6-脒基-1-甲基碳青霉烯及其合成过程，涉及新的氮杂环丁酮中间体。
• Bis-penicillanoyloxy-alkanes
  申请人：Leo Pharmaceutical Products Ltd. A/S

  公开号：US04181659A1

  公开（公告）日：1980-01-01

  The present invention relates to hitherto unknown esters of the below formula I, to salts of the esters of formula I with pharmaceutically acceptable acids, to methods for producing said new compounds, to pharmaceutical compositions containing said new compounds, and to methods of treating patients suffering from infectious diseases using said new compounds. The compounds of the invention, which are valuable in the human and veterinary practice, have the formula I ##STR1## in which R.sub.1 and R.sub.2 represent the same or different substituents, and each represents hydrogen or lower alkyl; A represents a carbon chain having from 5 to 8 carbon atoms, in which optionally an oxygen or a sulphur atom can be substituted for a methylene group; or the grouping ##STR2## represents a bicyclic system containing from 5 to 10 carbon atoms, or a bicyclic system containing from 4 to 9 carbon atoms, in which optionally an oxygen or a sulphur atom is substituted for a methylene group; or the grouping ##STR3## represent a spirocyclic system containing from 7 to 10 carbon atoms; R.sub.3 represents hydrogen or lower alkyl, halogen substituted lower alkyl, and unsubstituted and substituted aryl and aralkyl. The esters of the present invention are absorbed efficiently when given orally and are non-toxic when given parenterally. After the absorption the esters are converted to the corresponding penicillanic acids by enzymatic hydrolysis. Furthermore, these esters are chemically more stable then the corresponding free acids.

  本发明涉及到以下式I的迄今未知的酯类，以及该式I的酯与药学上可接受的酸的盐，生产这些新化合物的方法，含有这些新化合物的药物组合物，以及使用这些新化合物治疗患有传染病的患者的方法。本发明的化合物在人类和兽医实践中具有价值，其具有如下式I：其中R.sub.1和R.sub.2代表相同或不同的取代基，每个代表氢或较低的烷基；A代表具有5到8个碳原子的碳链，其中可以选择地将氧或硫原子取代为亚甲基基团；或者表示含有5到10个碳原子的双环系统，或者含有4到9个碳原子的双环系统，其中可以选择地将氧或硫原子取代为亚甲基基团；或者表示含有7到10个碳原子的螺环系统；R.sub.3代表氢或较低的烷基，卤素取代的较低烷基，以及未取代和取代的芳基和芳基烷基。本发明的酯类在口服给药时被有效吸收，在经皮给药时无毒性。在吸收后，这些酯类通过酶水解转化为相应的青霉素酸。此外，这些酯类在化学上比相应的游离酸更稳定。
• Novel ester of 6-((hexahydro-1H-azepin-1-yl)methyleneamino)penicillanic acid, process for its production, and its use as antibacterial agent
  申请人：KANEBO, LTD.

  公开号：EP0070477A1

  公开（公告）日：1983-01-26

  (5-Methyl-2-oxo-1,3-dioxolen-4-yl)methyl 6-[(hexahy- dro-1H-azepin-1-yl)methyleneamino]penicilianate of the following formula (I) or its pharmaceutically acceptable acid addition salt. The compound is useful as an antibacterial agent and may be prepared by reacting (5-methyl-2-oxo-1,3-dioxolen-4-yl)-methyl 6-aminopenicillanate of the following formula (II) or its acid addition salt with chloro-N,N-hexamethylene- formiminium chloride, and as required, converting the resulting compound to its pharmaceutically acceptable acid addition salt.

  (5-甲基-2-氧代-1,3-二氧戊烯-4-基)6-[(六氢-1H-氮杂卓-1-基)亚甲基氨基]下式(I)的青霉烷酸甲酯 或其药学上可接受的酸加成盐。 该化合物可用作抗菌剂，其制备方法是将下式（II）的(5-甲基-2-氧代-1,3-二氧戊环-4-基)-6-氨基青霉烷酸甲酯与氯代-2-氧代-1,3-二氧戊环-4-基-6-氨基青霉烷酸甲酯或其酸加成盐反应 或其酸加成盐与氯-N,N-六亚甲基甲亚胺氯化物反应，并根据需要将所得化合物转化为药学上可接受的酸加成盐。
• Novel 6-amido-1-methyl carbapenems
  申请人：Merck & Co., Inc.

  公开号：EP0350211A2

  公开（公告）日：1990-01-10

  New antibacterial 6-amido-1-methylcarba­penems and process for their synthesis involving new azetidinone intermediates.

  新型抗菌 6-氨基-1-甲基碳青霉烯类化合物及其新氮杂环丁酮中间体合成工艺。
• Novel 6-amido-1-methyl carbapenams
  申请人：Merck & Co., Inc.

  公开号：EP0381532A1

  公开（公告）日：1990-08-08

  New antibacterial 6-amido-1-methyl-­carbapenams and a process for their synthesis through new intermediates from carbapenems are disclosed.

  本研究公开了新型抗菌 6-氨基-1-甲基碳青霉烯类化合物及其通过碳青霉烯类化合物的新中间体合成的工艺。