(2-Iodo-1-methoxy-ethoxymethyl)-phosphonic acid diisopropyl ester | 183197-57-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物
• 英文名称: (2-Iodo-1-methoxy-ethoxymethyl)-phosphonic acid diisopropyl ester
• 英文别名: 2-[(2-iodo-1-methoxyethoxy)methyl-propan-2-yloxyphosphoryl]oxypropane
• CAS: 183197-57-1
• 化学式: C₁₀H₂₂IO₅P
• 分子量: 380.16
• InChiKey: ICBAUIIOXTXSKT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.41
• 重原子数：
  17.0
• 可旋转键数：
  9.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  53.99
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  腺嘌呤 、 (2-Iodo-1-methoxy-ethoxymethyl)-phosphonic acid diisopropyl ester 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 [2-(6-Amino-purin-9-yl)-1-methoxy-ethoxymethyl]-phosphonic acid diisopropyl ester
  参考文献：
  名称：

  2′-C-ALKOXY AND 2′-C-ARYLOXY DERIVATIVES OFN-(2-PHOSPHONOMETHOXYETHYL)-PURINES AND -PYRIMIDINES: SYNTHESIS AND BIOLOGICAL ACTIVITY

  摘要：

  A series of novel, unusual type of acyclic phosphonate-based nucleotide analogues related to well-known antivirals (PMEA and HPMPA) was synthesized using easily available synthon. These compounds, which are distinguished for the presence of phosphonomethyl acetal linkage, form a group of derivatives that contribute to the understanding of structure-activity relationship within the area of acyclic nucleotide analogues.

  DOI：

  10.1081/ncn-100105244
• 作为产物：
  描述：

  diisopropyl 2-(chloroethoxy)methylphosphonate 在 N-碘代丁二酰亚胺 、 potassium tert-butylate 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 24.33h， 生成 (2-Iodo-1-methoxy-ethoxymethyl)-phosphonic acid diisopropyl ester
  参考文献：
  名称：

  2′-C-ALKOXY AND 2′-C-ARYLOXY DERIVATIVES OFN-(2-PHOSPHONOMETHOXYETHYL)-PURINES AND -PYRIMIDINES: SYNTHESIS AND BIOLOGICAL ACTIVITY

  摘要：

  A series of novel, unusual type of acyclic phosphonate-based nucleotide analogues related to well-known antivirals (PMEA and HPMPA) was synthesized using easily available synthon. These compounds, which are distinguished for the presence of phosphonomethyl acetal linkage, form a group of derivatives that contribute to the understanding of structure-activity relationship within the area of acyclic nucleotide analogues.

  DOI：

  10.1081/ncn-100105244

文献信息

• Rejman, Dominik; Rosenberg, Ivan, Collection of Czechoslovak Chemical Communications, 1996, vol. 61, p. S122 - S123
  作者：Rejman, Dominik、Rosenberg, Ivan

  DOI：——

  日期：——