1-chloroethyl propyl carbonate | 99464-82-1

• 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: 1-chloroethyl propyl carbonate
• CAS: 99464-82-1
• 化学式: C₆H₁₁ClO₃
• mdl: MFCD20624698
• 分子量: 166.605
• InChiKey: WSMINTWDWKPQQQ-UHFFFAOYSA-N

物化性质

• 沸点：
  170.8±23.0 °C(Predicted)
• 密度：
  1.116±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.833
• 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：

  1-chloroethyl propyl carbonate 在 18-冠醚-6 、 sodium iodide 作用下， 以 甲苯 为溶剂， 反应 2.0h， 生成 1-iodoethyl propyl carbonate
  参考文献：
  名称：

  Synthesis and Characterization of Novel Analogues of Cefpodoxime Proxetil

  摘要：

  这项工作描述了四种头孢匹多克肟的新类似物的起源、鉴定、合成、表征和控制，它们分别是头孢匹多克肟的乙基、甲基、丙基和N-丙基类似物。

  DOI：

  10.14233/ajchem.2020.22666
• 作为产物：
  描述：

  1-氯乙基氯甲酸酯 生成 1-chloroethyl propyl carbonate
  参考文献：
  名称：

  ADAM, FRIEDHELM;BLUMBACH, JURGEN;DURCKHEIMER, WALTER;FISCHER, GERD;MENCKE+

  摘要：

  DOI：

文献信息

• ヌクレオチドアナログ
  申请人：ギリアード サイエンシーズ, インコーポレイテッド

  公开号：JP2015164934A

  公开（公告）日：2015-09-17

  PROBLEM TO BE SOLVED: To provide, e.g., intermediates for phosphonomethoxy nucleotide analogs, in particular, intermediates suitable for use in efficient oral delivery of such analogs.SOLUTION: Novel compounds are provided that comprise esters of antiviral phosphonomethoxy nucleotide analogs with carbonates and/or carbamates having the structure -OC(R2)2OC(O)X(R)a, The compounds are useful as intermediates for the preparation of antiviral compounds or oligonucleotides, or are useful for administration directly to patients for antiviral therapy or prophylaxis (R2 is as described in the specifications ).

  要解决的问题：提供磷酸甲氧基核苷类似物的中间体，特别是适用于高效口服给药的中间体。解决方案：提供了包括抗病毒磷酸甲氧基核苷类似物的酯与具有结构-OC(R2)2OC(O)X(R)a的碳酸酯和/或氨基甲酸酯的新化合物。这些化合物可用作制备抗病毒化合物或寡核苷酸的中间体，或者可直接用于抗病毒治疗或预防的患者（其中R2如规范中所述）。
• [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。
• 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。
• ALKOXYCARBONYL HEMIACETAL-TYPE ESTER PRODRUG OF PYRIDONE CARBOXYLIC ACID ANTIBACTERIAL DRUG
  申请人：KINKI UNIVERSITY

  公开号：US20160326165A1

  公开（公告）日：2016-11-10

  The present invention provides a hemiacetal ester prodrug of the pyridone carboxylic acid antibacterial drug, wherein the prodrug is characterized in that, (i) it is hydrolyzed promptly after intestinal absorption and regenerates the pyridone carboxylic acid antibacterial drug as a drug substance, (ii) a one-dose package is possible by preventing chelate-formation in intestines in an oral administration, and (iii) the normal bacterial flora of the intestinal bacterial flora is not influenced at all until the ester is absorbed, because the hemiacetal-type esterification is executed on the carboxylic acid which is a center of the antibacterial action, resulting in prevention of the pseudomembranous colitis. The prodrug is an alkoxy carbonyl hemiacetal-type ester represented by the chemical formula (I), which is useful as a prodrug for inhibiting the enteric-bacterium-shift side effect, and can be used in combination with polyvalent metal-containing medicines.

  本发明提供了吡啶酮羧酸抗菌药的半缩醛酯前药，其中该前药的特征在于，(i)在肠道吸收后迅速水解并再生为吡啶酮羧酸抗菌药作为药物物质，(ii)通过在口服时防止在肠道中形成螯合物，可以实现单剂量包装，(iii)在酯被吸收之前，肠道细菌群落的正常菌群完全不受影响，因为半缩醛型酯化作用发生在抗菌作用中心的羧酸上，从而预防假膜性结肠炎。该前药是一种由化学式(I)表示的烷氧羰基半缩醛型酯，可用作抑制肠道细菌移位副作用的前药，并可与含多价金属的药物结合使用。
• [EN] COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE<br/>[FR] PROMÉDICAMENTS DE LIBÉRATION DE CYCLISATION D'ESTER DE NÉOPENTYLE SULFONYLE D'ESTER D'ACIDE PANTOÏQUE COMPLEXE D'ACAMPROSATE, LEURS COMPOSITIONS ET PROCÉDÉS D'UTILISATION
  申请人：XENOPORT INC

  公开号：WO2009033054A1

  公开（公告）日：2009-03-12

  Pantoic acid ester neopentyl sulfonyl ester prodrugs of acamprosate of formula (I), pharmaceutical compositions comprising such prodrugs, and methods of using such prodrugs and compositions thereof for treating diseases are disclosed. In particular, acamprosate prodrugs exhibiting enhanced oral bioavailability and methods of using acamprosate prodrugs to treat neurodegenerative disorders, psychotic disorders, mood disorders, anxiety disorders, somatoform disorders, movement disorders, substance abuse disorders, binge eating disorders, cortical spreading depression related disorders, tinnitus, sleeping disorders, multiple sclerosis and pain are disclosed.

  本发明涉及公式（I）的戊二酸酯新戊基磺酰酯前药，包括这种前药的制药组合物，以及使用这种前药和组合物治疗疾病的方法。具体而言，本发明揭示了具有增强口服生物利用度的戊二酸酯前药，并使用这些前药治疗神经退行性疾病、精神疾病、情绪障碍、焦虑症、躯体形式障碍、运动障碍、物质滥用障碍、暴食障碍、皮层扩散性抑制相关障碍、耳鸣、睡眠障碍、多发性硬化和疼痛等疾病的方法。