alpha-chloroethyl butyl carbonate | 91508-03-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 英文名称: alpha-chloroethyl butyl carbonate
• 英文别名: (+/-)-carbonic acid butyl ester 1-chloro-ethyl ester；Butyl 1-chloroethyl carbonate
• CAS: 91508-03-1
• 化学式: C₇H₁₃ClO₃
• mdl: MFCD20623328
• 分子量: 180.631
• InChiKey: WQRYMQHLFDVPFS-UHFFFAOYSA-N

物化性质

• 沸点：
  192.9±23.0 °C(Predicted)
• 密度：
  1.090±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.857
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  alpha-chloroethyl butyl carbonate 在 sodium iodide 作用下， 以65%的产率得到1-碘丁烷
  参考文献：
  名称：

  由相应的醇新制备烷基碘

  摘要：

  结果表明，可以从相应的烷基α-氯乙基碳酸酯和NaI或通过醇，α-氯乙基氯甲酸酯和NaI之间的直接反应获得烷基碘。

  DOI：

  10.1016/s0040-4039(00)98231-5
• 作为产物：
  描述：

  乙醛 生成 alpha-chloroethyl butyl carbonate
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• [EN] BETA-LACTAMASE INHIBITOR PRODRUG<br/>[FR] PROMEDICAMENT INHIBITEUR DE LA BETA-LACTAMASE
  申请人：PFIZER PROD INC

  公开号：WO2004108733A1

  公开（公告）日：2004-12-16

  Prodrugs of 6-β-hydroxymethylpenicillanic acid sulfone having the structure wherein R is H or methyl, each X is methylene, and Y is 0, or wherein R is H, each X is 0 and Y is methylene, and solvates thereof are disclosed. Also disclosed are pharmaceutical compositions comprising a prodrug of the present invention, or a solvate thereof, an optional beta-lactam antibiotic and at least one pharmaceutically acceptable carrier. Further disclosed is a method for increasing the therapeutic effectiveness of a beta-lactam antibiotic in 20 a mammal by administering an effective amount of a beta­lactam antibiotic and an effectiveness-increasing amount of a prodrug of the present invention, or a solvate thereof. Additionally disclosed is a method for treating a bacterial infection in a mammal by administering a therapeutically effective amount of a pharmaceutical composition of the present invention to a mammal in need thereof.

  6-β-羟甲基青霉烷酸磺酸的前药具有以下结构，其中R为H或甲基，每个X为亚甲基，Y为0，或其中R为H，每个X为0，Y为亚甲基，以及其溶剂化合物。还披露了包括本发明的前药或其溶剂化合物、可选的β-内酰胺类抗生素和至少一种药用可接受载体的药物组合物。进一步披露了通过给哺乳动物投予有效量的β-内酰胺类抗生素和本发明的前药或其溶剂化合物的增效量来增加β-内酰胺类抗生素的治疗效果的方法。此外，还披露了通过给需要的哺乳动物投予本发明的药物组合物的治疗有效量来治疗哺乳动物的细菌感染的方法。
• [EN] BETA-LACTAMASE INHIBITOR PRODRUG<br/>[FR] PROMEDICAMENT INHIBITEUR DE BETA-LACTAMASE
  申请人：PFIZER PROD INC

  公开号：WO2004018484A1

  公开（公告）日：2004-03-04

  Prodrugs of 6-ß-hydroxymethylpenicillanic acid sulfone having the structure wherein R is H or methyl, and solvates thereof, are disclosed. Also disclosed are pharmaceutical compositions comprising a prodrug of the present invention, or a solvate thereof, an optional beta-lactam antibiotic and at least one pharmaceutically acceptable carrier. Further disclosed is a method for increasing the therapeutic effectiveness of a beta-lactam antibiotic in a mammal by administering an effective amount of a betalactam antibiotic and an effectiveness-increasing amount of a prodrug of the present invention, or a solvate thereof. Additionally disclosed is a method for treating a bacterial infection in a mammal by administering a therapeutically effective amount of a pharmaceutical composition of the present invention to a mammal in need thereof.

  6-ß-羟甲基青霉烷酸磺酸酯的前药具有结构，其中R为H或甲基，并公开其溶剂合物。还公开了包括本发明的前药或其溶剂合物、可选的β-内酰胺类抗生素和至少一种药用载体的药物组合物。进一步公开了通过给哺乳动物投予β-内酰胺类抗生素的有效量和本发明的前药或其溶剂合物的增效量来增加β-内酰胺类抗生素的治疗效果的方法。此外，还公开了通过给需要的哺乳动物投予本发明的药物组合物的治疗有效量来治疗哺乳动物的细菌感染的方法。
• Synthesis, acaricidal activities and docking study of novel acrylonitrile derivatives
  作者：Liang-Kun Zhong、Sheng-Jie Kang、Cheng-Xia Tan、Jian-Quan Weng、Tian-Ming Xu、Xing-Hai Liu

  DOI：10.24820/ark.5550190.p011.074

  日期：——

  A series of novel acrylonitrile derivatives containing a flexible chain were designed using cyflumetofen as lead compound. They were synthesized via two steps. The structures were confirmed by 1H NMR, 13C NMR and HRMS. The title acrylonitrile derivatives exhibited good acaricidal activity against Tetranchus urticae. In particular, 3j possessed excellent activity in the green house, at the same level

  以氟虫腈为先导化合物，设计了一系列含有柔性链的新型丙烯腈衍生物。它们通过两个步骤合成。结构经1H NMR、13C NMR和HRMS证实。标题丙烯腈衍生物对荨麻疹表现出良好的杀螨活性。尤其是，3j 在温室中具有极好的活性，在 4 天或 7 天时与对照氟美托芬处于同一水平。
• Beta-lactamase inhibitor prodrug
  申请人：Marfat Anthony

  公开号：US20050004093A1

  公开（公告）日：2005-01-06

  Prodrugs of 6-β-hydroxymethylpenicillanic acid sulfone having the structure wherein R is H or methyl, each X is methylene, and Y is O, or wherein R is H, each X is O and Y is methylene, and solvates thereof are disclosed. Also disclosed are pharmaceutical compositions comprising a prodrug of the present invention, or a solvate thereof, an optional beta-lactam antibiotic and at least one pharmaceutically acceptable carrier. Further disclosed is a method for increasing the therapeutic effectiveness of a beta-lactam antibiotic in a mammal by administering an effective amount of a beta-lactam antibiotic and an effectiveness-increasing amount of a prodrug of the present invention, or a solvate thereof. Additionally disclosed is a method for treating a bacterial infection in a mammal by administering a therapeutically effective amount of a pharmaceutical composition of the present invention to a mammal in need thereof.

  本发明揭示了6-β-羟甲基青霉烷酸磺酸酯的前药物，其结构为：其中R为氢或甲基，每个X为亚甲基，Y为氧，或其中R为氢，每个X为氧，Y为亚甲基，以及其溶剂化物。还揭示了包含本发明的前药物或其溶剂化物、可选的β-内酰胺类抗生素和至少一种药学上可接受的载体的制药组合物。此外，还揭示了通过给哺乳动物注射有效量的β-内酰胺类抗生素和本发明的前药物或其溶剂化物的增效剂量来提高β-内酰胺类抗生素的治疗效果的方法。此外，还揭示了通过给需要治疗细菌感染的哺乳动物注射本发明的制药组合物的治疗有效量来治疗细菌感染的方法。
• Anti-inflammatory 2-methyl-2H-1,2-benzo-(or
  申请人：Pfizer Inc.

  公开号：US04551452A1

  公开（公告）日：1985-11-05

  Certain enol ether derivatives of oxicams (1,1-dioxides of N-heteroaryl-4-hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxamides and N-heteroaryl-4-hydroxy-2-methyl-2H-thieno[2,3-e]-1,2-thiazine-3-carboxamid es) are useful as prodrugs of these antiinflammatory compounds.

  某些氧卡姆的烯醇醚衍生物（N-杂环芳基-4-羟基-2-甲基-2H-1,2-苯并噻嗪-3-羧酰胺和N-杂环芳基-4-羟基-2-甲基-2H-噻吩[2,3-e]-1,2-噻嗪-3-羧酰胺的1,1-二氧化物）可用作这些抗炎化合物的前药。