(5aR,6R,9S,9aS)-3-((4-chlorobenzyl)oxy)-1,5,5a,6,9,9a-hexahydro-6,9-methanobenzo[e][1,3,2]dioxaphosphepine 3-oxide | 1233656-30-8

• 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: (5aR,6R,9S,9aS)-3-((4-chlorobenzyl)oxy)-1,5,5a,6,9,9a-hexahydro-6,9-methanobenzo[e][1,3,2]dioxaphosphepine 3-oxide
• CAS: 1233656-30-8
• 化学式: C₁₆H₁₈ClO₄P
• 分子量: 340.743
• InChiKey: NRDZQCNKIUSRGC-HJUWNKOCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.45
• 重原子数：
  22.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  44.76
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  吗啉 、 (5aR,6R,9S,9aS)-3-((4-chlorobenzyl)oxy)-1,5,5a,6,9,9a-hexahydro-6,9-methanobenzo[e][1,3,2]dioxaphosphepine 3-oxide 在 Grubbs catalyst first generation 、 四丁基碘化铵 、 potassium carbonate 作用下， 以 二氯甲烷 、 氯仿 为溶剂， 生成 4-(4-氯苯甲基)吗啉
  参考文献：
  名称：

  ROMP-Derived Oligomeric Phosphates for Application in Facile Benzylation

  摘要：

  The development of new ROMP-based oligomeric benzyl phosphates (OBPn) is reported for use as soluble, stable benzylating reagents. These oligomeric reagents are readily synthesized from commercially available materials and conveniently polymerized and purified in a one-pot process, affording bench-stable, pure white, free-flowing solids on multigram scale. Utilization in benzylation reactions with a variety of nucleophiles is reported.

  DOI：

  10.1021/ol1006604
• 作为产物：
  描述：

  (1R,2R,8S,9S)-5-chloro-4,6-dioxa-5lambda5-phosphatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide 、 4-氯苯甲醇 在 NMI 作用下， 以 二氯甲烷 为溶剂， 生成 (5aR,6R,9S,9aS)-3-((4-chlorobenzyl)oxy)-1,5,5a,6,9,9a-hexahydro-6,9-methanobenzo[e][1,3,2]dioxaphosphepine 3-oxide
  参考文献：
  名称：

  ROMP-Derived Oligomeric Phosphates for Application in Facile Benzylation

  摘要：

  The development of new ROMP-based oligomeric benzyl phosphates (OBPn) is reported for use as soluble, stable benzylating reagents. These oligomeric reagents are readily synthesized from commercially available materials and conveniently polymerized and purified in a one-pot process, affording bench-stable, pure white, free-flowing solids on multigram scale. Utilization in benzylation reactions with a variety of nucleophiles is reported.

  DOI：

  10.1021/ol1006604