benzyl chloromethyl carbonate | 58304-99-7

• 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: benzyl chloromethyl carbonate
• 英文别名: Chloromethyl phenylmethyl carbonate
• CAS: 58304-99-7
• 化学式: C₉H₉ClO₃
• 分子量: 200.622
• InChiKey: BEPWYFBLGRQFFK-UHFFFAOYSA-N

物化性质

• 沸点：
  265.1±33.0 °C(Predicted)
• 密度：
  1.253±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 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：

  benzyl chloromethyl 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 [2-(6-Aminopurin-9-yl)ethoxymethyl-(benzyloxycarbonyloxymethoxy)phosphoryl]oxymethyl benzyl 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 、 苯甲醇 在 吡啶 作用下， 以 环己烷 为溶剂， 反应 12.0h， 生成 benzyl chloromethyl 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

• [EN] SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS<br/>[FR] RÉACTIFS DE MÉTHYLFORMYLE SUBSTITUÉ ET PROCÉDÉ D'UTILISATION DE CEUX-CI POUR MODIFIER DES PROPRIÉTÉS PHYSICOCHIMIQUES ET/OU PHARMACOCINÉTIQUES DE COMPOSÉS
  申请人：SPHAERA PHARMA PRIVATE LTD

  公开号：WO2012137225A1

  公开（公告）日：2012-10-11

  The present invention relates to the synthesis and application of novel chiral/ achiral substituted methyl formyl reagents to modify pharmaceutical agents and/or biologically active substances to modify the physicochemical, biological and/or pharmacokinetic properties of the resulting compounds from the unmodified original agent.

  本发明涉及合成和应用新型手性/非手性取代甲基甲酰试剂，用于修改药物和/或生物活性物质，以改变未经修改的原始试剂产生的化合物的物理化学、生物学和/或药代动力学性质。
• Contrast agents comprising gas-containing or gas-generating polymer
  申请人：Nycomed Imaging AS

  公开号：US05674468A1

  公开（公告）日：1997-10-07

  Contrast agents comprising gas-containing or gas-generating polymer microparticles and/or microballoons, in which the polymer is a biodegradable polymer containing units of formula --(O).sub.m --CO--O--C(R.sup.1 R.sup.2)--O--CO--(O).sub.n -- (wherein R.sup.1 and R.sup.2 each represent hydrogen or a carbon-attached monovalent organic group or together form a carbon-attached divalent organic group, and m and n are each independently zero or one) may be used in diagnostic applications such as ultrasound and MR imaging.

  对比剂包括含气或产气聚合物微粒和/或微气泡，其中聚合物是含有式单元的可生物降解聚合物 --(O).sub.m --CO--O--C(R.sup.1 R.sup.2)--O--CO--(O).sub.n --（其中R.sup.1和R.sup.2分别代表氢或碳连接的一价有机基团，或者一起形成碳连接的二价有机基团，m和n各自独立地为零或一），可用于诊断应用，如超声和磁共振成像。
• NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES
  申请人：Inhibikase Therapeutics, Inc.

  公开号：US20140100225A1

  公开（公告）日：2014-04-10

  Novel compounds and their synthesis are described. Methods for using these compounds in the prevention or treatment of cancer, a bacterial infection or a viral infection in a subject are also described.

  小说化合物及其合成已被描述。还描述了在预防或治疗受试者中的癌症、细菌感染或病毒感染中使用这些化合物的方法。
• [EN] COMPOSITIONS AND METHODS FOR INHIBITING KINASES<br/>[FR] COMPOSITIONS ET MÉTHODES POUR INHIBER LES KINASES
  申请人：INHIBIKASE THERAPEUTICS INC

  公开号：WO2018081251A1

  公开（公告）日：2018-05-03

  The present invention provides methods for the prevention or treatment of Parkinson's Disease using Abelson-family tyrosine kinase inhibitors.

  本发明提供了使用阿贝尔森家族酪氨酸激酶抑制剂预防或治疗帕金森病的方法。
• SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS
  申请人：Dugar Sundeep

  公开号：US20140121367A1

  公开（公告）日：2014-05-01

  The present invention relates to the synthesis and application of novel chiral/achiral substituted methyl formyl reagents to modify pharmaceutical agents and/or biologically active substances to modify the physicochemical, biological and/or pharmacokinetic properties of the resulting compounds from the unmodified original agent.

  本发明涉及合成和应用新型手性/无手性取代甲基甲酰试剂来修饰药物和/或生物活性物质，以改变未经修饰的原始试剂的物理化学、生物学和/或药代动力学性质，从而得到改性后的化合物。