benzoyloxymethyl ether | 131853-06-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: benzoyloxymethyl ether
• 英文别名: bis-benzoyloxymethyl ether；α.α'-Dibenzoyloxy-dimethylaether；Bis-benzoyloxymethyl-aether；Benzoyloxymethoxymethyl benzoate
• CAS: 131853-06-0
• 化学式: C₁₆H₁₄O₅
• 分子量: 286.284
• InChiKey: PYLVMUGLVSEAHK-UHFFFAOYSA-N

物化性质

• 熔点：
  39 °C
• 沸点：
  218 °C
• 密度：
  1.231±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  21
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  benzoyloxymethyl ether 在 zinc(II) chloride 作用下， 生成 二苯甲酸亚甲基酯
  参考文献：
  名称：

  Staudinger; Luethy, Helvetica Chimica Acta, 1925, vol. 8, p. 57

  摘要：

  DOI：
• 作为产物：
  描述：

  sodium benzoate 、 二氯甲基醚 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 以91%的产率得到benzoyloxymethyl ether
  参考文献：
  名称：

  A new class of acyclic phosphonate nucleotide analogs: Phosphonate isosteres of acyclovir and ganciclovir monophosphates as antiviral agents

  摘要：

  Novel phosphonate isosteres of acyclovir (ACV) and ganciclovir (DHPG) monophosphates (20 and 32) were found to be potent and selective antiherpesvirus agents. In the series of phosphonate analogues of ACV monophosphate, only the guanine analogue 20 exhibited activity against herpesviruses, similar to the structure-activity relationship observed for base modification of ACV analogues. The phosphonate isostere of ACV monophosphate (20) was more effective than ACV in the HSV-1 infected mouse model. The 3'-carba analogues of 9-[3-hydroxy-2-(phosphonomethoxy)propyl]purines/pyrimidines (adenine, HPMPA; guanine, HPMPG; cytosine, HPMPC) are devoid of antiherpesvirus activity. This result confirms that the beta-oxygen atom of the phosphonomethyl ether functionality in HPMP-purines/pyrimidines plays a critical role for activity against herpesviruses.

  DOI：

  10.1021/jm00111a052

文献信息

• Nucleoside analogs
  申请人：Institute of Organic Chemistry and Biochemistry of the Academy of

  公开号：US05686611A1

  公开（公告）日：1997-11-11

  Provided are compounds of the following formulae: A phosphonomethoxymethyoxymethyl purine/pyrimidine derivative of the formula ##STR1## wherein X and X' are the same or different and are hydrogen or alkyl. R and R' are the same or different and are hydrogen, alkyl, hydroxyalkyl or alkanoyl and B is a purine or pyrimidine base. A compound of formula (VI) ##STR2## wherein X is halogen, Y is S-phenyl, Se-phenyl or halogen and B is hypoxanthine, xanthine, guanine, 8-bromoguanine, 8-chloroguanine, 8-methylguanine, 8-thioguanine, 3-deazaguanine, purine, 2-aminopurine, 2,6-diaminopurine, adenine, 3-deazaadenine, 8-aminoguanine, 8-hydrazinoguanine, 8-hydroxyguanine, cytosine, 5-ethylcytosine, 5-methylcytosine, thymine, uracil, 5-chlorouracil, 5-bromouracil, 5-ethyluracil, 5-iodouracil, 5-propyluracil or 5-vinyluracil, 2-acetamido-6-diphenylcarbamoylpurine, 6-N-dimethylamino-methyladenine or 6-N-pivaloyladenine. A compound of formula (VII) ##STR3## wherein B is guanine, 8-guanine, 8-bromoguanine, 8-chloroguanine, 8-methylguanine, 8-thioguanine, 3-deazaguanine, 8-aminoguanine, 8-hydrazinoguanine, 8-hydroxyguanine, cytosine, 5-ethylcytosine, or 5-methylcytosine.

  提供以下式的化合物：A磷酸甲氧甲氧甲氧基嘌呤/嘧啶衍生物，其化学式为##STR1##其中X和X'相同或不同，为氢或烷基。R和R'相同或不同，为氢、烷基、羟基烷基或烷酰基，B为嘌呤或嘧啶碱基。化学式为(VI)的化合物##STR2##其中X为卤素，Y为S-苯基、Se-苯基或卤素，B为咖啡碱、黄嘌呤、鸟嘌呤、8-溴鸟嘌呤、8-氯鸟嘌呤、8-甲基鸟嘌呤、8-硫鸟嘌呤、3-去氮鸟嘌呤、嘌呤、2-氨基嘌呤、2,6-二氨基嘌呤、腺嘌呤、3-去氮腺嘌呤、8-氨基鸟嘌呤、8-叠氮鸟嘌呤、8-羟基鸟嘌呤、胞嘧啶、5-乙基胞嘧啶、5-甲基胞嘧啶、胸腺嘧啶、尿嘧啶、5-氯尿嘧啶、5-溴尿嘧啶、5-乙基尿嘧啶、5-碘尿嘧啶、5-丙基尿嘧啶或5-乙烯基尿嘧啶、2-乙酰胺基-6-二苯基氨基嘌呤、6-N-二甲氨基甲基腺嘌呤或6-N-戊酰基腺嘌呤。化学式为(VII)的化合物##STR3##其中B为鸟嘌呤、8-鸟嘌呤、8-溴鸟嘌呤、8-氯鸟嘌呤、8-甲基鸟嘌呤、8-硫鸟嘌呤、3-去氮鸟嘌呤、8-氨基鸟嘌呤、8-叠氮鸟嘌呤、8-羟基鸟嘌呤、胞嘧啶、5-乙基胞嘧啶或5-甲基胞嘧啶。
• Synthesis of oxime nerve agent antidotes
  申请人：Southwest Research Institute

  公开号：US10633340B1

  公开（公告）日：2020-04-28

  The present invention relates to a new route to bis-quaternary pyridinium oximes which can be utilized to restore activity of acetylcholinesterase inhibited by combination with organophosphates.

  本发明涉及一种新的制备双季铵吡啶羟肟化合物的方法，可以用于恢复被有机磷酸酯类化合物抑制的乙酰胆碱酯酶的活性。
• Kim, Choung Un; Misco, Peter F.; Luh, Bing Y., Heterocycles, 1990, vol. 31, # 9, p. 1571 - 1574
  作者：Kim, Choung Un、Misco, Peter F.、Luh, Bing Y.、Martin, John C.

  DOI：——

  日期：——
• HETEROCYCLES, 31,(1990) N, C. 1571-1574
  作者：

  DOI：——

  日期：——
• KIM, CHOUNG UN;MISCO, PETER F.;LUH, BING YU;HITCHCOCK, MICHAEL J. M.;GHAZ+, J. MED. CHEM., 34,(1991) N, C. 2286-2294
  作者：KIM, CHOUNG UN、MISCO, PETER F.、LUH, BING YU、HITCHCOCK, MICHAEL J. M.、GHAZ+

  DOI：——

  日期：——