Chloromethyl prop-2-enyl carbonate | 223777-72-8

• 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: Chloromethyl prop-2-enyl carbonate
• CAS: 223777-72-8
• 化学式: C₅H₇ClO₃
• mdl: MFCD19236574
• 分子量: 150.562
• InChiKey: DLLPFISPEMORLL-UHFFFAOYSA-N

物化性质

• 沸点：
  148.2±33.0 °C(Predicted)
• 密度：
  1.181±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  9
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.4
• 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：

  Chloromethyl prop-2-enyl carbonate 、 阿德福韦 在 TEA 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 4.5h， 生成 Allyl [allyloxycarbonyloxymethoxy-[2-(6-aminopurin-9-yl)ethoxymethyl]phosphoryl]oxymethyl carbonate
  参考文献：
  名称：

  Some new acyclic nucleotide analogues as antiviral prodrugs: Synthesis and bioactivities in vitro

  摘要：

  A series of ester analogues of acyclic nucleotide PMPA and PMEA were synthesized as potent antiviral agents. The antiviral evaluation results indicated that his benzyl ester prodrug of PMPA 5f and bis allyl ester prodrug of PMEA 5g exhibited potent antiviral activities. The IC50 of 5f for HBV was 2.15 mu M, and the IC50 of 5g for HIV-1 was 1.61 mu M. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.08.065
• 作为产物：
  描述：

  氯甲酸氯甲酯 、 烯丙醇 在 吡啶 作用下， 以 环己烷 为溶剂， 反应 12.0h， 生成 Chloromethyl prop-2-enyl carbonate
  参考文献：
  名称：

  Some new acyclic nucleotide analogues as antiviral prodrugs: Synthesis and bioactivities in vitro

  摘要：

  A series of ester analogues of acyclic nucleotide PMPA and PMEA were synthesized as potent antiviral agents. The antiviral evaluation results indicated that his benzyl ester prodrug of PMPA 5f and bis allyl ester prodrug of PMEA 5g exhibited potent antiviral activities. The IC50 of 5f for HBV was 2.15 mu M, and the IC50 of 5g for HIV-1 was 1.61 mu M. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.08.065

文献信息

• ALKOXYCARBONATE ESTER PRODRUGS FOR USE AS ANTIMALARIAL AGENTS
  申请人：OREGON HEALTH & SCIENCE UNIVERSITY

  公开号：US20200369616A1

  公开（公告）日：2020-11-26

  Provided are compounds of Formula (I): wherein: X is selected from the group of F and Cl; Y is selected from the group of —CH 2 —, —CH 2 —CH 2 —, and —CH(CH 3 )—; R 1 is selected from cycloalkyl, heterocyclyl, aromatic, heteroaromatic, and linear and branched alkyl, alkenyl, and alkynyl chains.

  提供的是Formula (I)的化合物： 其中：X选自F和Cl；Y选自—CH2—、—CH2—CH2—和—CH(CH3)—；R1选自环烷基、杂环烷基、芳香族、杂芳香族以及直链和支链烷基、烯基和炔基链。
• [EN] NOVEL 1,3-OXAZOLIDINE COMPOUNDS AND THEIR USE AS RENIN INHIBITORS<br/>[FR] NOUVEAUX COMPOSÉS DE 1,3-OXAZOLIDINE ET UTILISATION DE CES DERNIERS COMME INHIBITEURS DE LA RÉNINE
  申请人：NOVADEX PHARMACEUTICALS AB

  公开号：WO2011056126A1

  公开（公告）日：2011-05-12

  The present invention relates to certain novel 1,3-oxazolidine compounds of formula (I), to processes for making such compounds and to their utility as renin inhibitors or prodrugs of renin inhibitors.

  本发明涉及某些新颖的1,3-噁唑烷化合物（I）的公式，以及制备这类化合物的方法，以及它们作为肾素抑制剂或肾素抑制剂的前药的用途。
• 4-SUBSTITUTED-3-PHENYLSULFANYLMETHYL-BICYCLO[3.1.0]HEXANE COMPOUNDS AS mGluR 2/3 ANTAGONISTS
  申请人：SMITH Stephon Cornell

  公开号：US20120129902A1

  公开（公告）日：2012-05-24

  A mGlu2/3 receptor antagonist of the formula: its uses, and methods for its preparation are described.

  一种公式为mGlu2/3受体拮抗剂的用途和制备方法被描述。
• [EN] 4-SUBSTITUTED-3-BENZYLOXY-BICYCLO[3.1.0]HEXANE COMPOUNDS AS mGluR 2/3 ANTAGONISTS<br/>[FR] COMPOSÉS 3-BENZYLOXY-BICYCLO[3.1.0]HEXANES 4-SUBSTITUÉS EN TANT QU'ANTAGONISTES DE MGLUR 2/3
  申请人：LILLY CO ELI

  公开号：WO2012068041A1

  公开（公告）日：2012-05-24

  A mGlu2/3 receptor antagonist of the formula: (formula), its uses, and methods for its preparation are described.

  一种公式为（formula）的mGlu2/3受体拮抗剂，描述了其用途和制备方法。
• [EN] SELF-ASSEMBLED GELS FORMED WITH ANTI-RETROVIRAL DRUGS, PRODRUGS THEREOF, AND PHARMACEUTICAL USES THEREOF<br/>[FR] GELS AUTO-ASSEMBLÉS FORMÉS AVEC DES MÉDICAMENTS ANTI-RÉTROVIRAUX, LEURS PROMÉDICAMENTS ET LEURS UTILISATIONS PHARMACEUTIQUES
  申请人：BRIGHAM & WOMENS HOSPITAL INC

  公开号：WO2018144991A1

  公开（公告）日：2018-08-09

  Self-assembled gels and methods of making thereof are described. A selective range of ratios between an organic solvent and optionally water, or an aqueous solution, allows for combinations of gelators (such as GRAS amphiphiles or prodrug-based gelators), co-gelators (such as anti-retrovirals), and solvents to form self-supporting hydrogels or organogels. The resulting gels may be used in methods of treating HIV and/or hepatitis.

  本文描述了自组装凝胶及其制备方法。有机溶剂和可选的水或水溶液之间的选择性比例范围，允许凝胶剂（例如GRAS两性分子或前药基凝胶剂）、共聚凝胶剂（例如抗逆转录病毒药物）和溶剂组合形成自支撑水凝胶或有机凝胶。所得到的凝胶可以用于治疗HIV和/或肝炎的方法。