5-acrylamido-5-(4'-carboxy-2'-oxabutyl)-2,2-dimethyl-1,3-dioxane | 444903-03-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-acrylamido-5-(4'-carboxy-2'-oxabutyl)-2,2-dimethyl-1,3-dioxane
• 英文别名: 3-[[2,2-Dimethyl-5-(prop-2-enoylamino)-1,3-dioxan-5-yl]methoxy]propanoic acid
• CAS: 444903-03-1
• 化学式: C₁₃H₂₁NO₆
• 分子量: 287.313
• InChiKey: UCTSKKQLNMSSON-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  94.1
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-(2'-nitro-1H-imidazolyl)-propylamide hydrochloride 、 5-acrylamido-5-(4'-carboxy-2'-oxabutyl)-2,2-dimethyl-1,3-dioxane 在 N-乙基吗啉 、 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 13.0h， 以45%的产率得到5-acrylamido-5-(6'-aza-9'-(2-nitro-1H-imidazolyl)-2'-oxa5'-oxononyl)-2,2-dimethyl-1,3-dioxane
  参考文献：
  名称：

  Synthesis of precursors of iodine-labeled multifunctional ligands containing 2-nitroimidazole for the detection of hypoxic tissues and/or tumors

  摘要：

  Biocompatible multifunctional ligands with telomeric structure containing 2-nitroimidazole as affinity marker and tosylate as precursor of I-123 radioactive tracer were prepared. Telomerization of appropriate monomers derived from tris(hydroxymethyl)-acrylamido-methane was performed in the presence of dodecanethiol, and either AIBN or tert-butylperoxide. These conjugates are designed to target hypoxic tissues and tumors. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)01022-5
• 作为产物：
  描述：

  5-Acrylamido-5-hydroxymethyl-2,2-dimethylcyclo-1,3-dioxahexane 在 sodium hydroxide 、 四丁基硫酸氢铵 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 生成 5-acrylamido-5-(4'-carboxy-2'-oxabutyl)-2,2-dimethyl-1,3-dioxane
  参考文献：
  名称：

  Synthesis of precursors of iodine-labeled multifunctional ligands containing 2-nitroimidazole for the detection of hypoxic tissues and/or tumors

  摘要：

  Biocompatible multifunctional ligands with telomeric structure containing 2-nitroimidazole as affinity marker and tosylate as precursor of I-123 radioactive tracer were prepared. Telomerization of appropriate monomers derived from tris(hydroxymethyl)-acrylamido-methane was performed in the presence of dodecanethiol, and either AIBN or tert-butylperoxide. These conjugates are designed to target hypoxic tissues and tumors. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)01022-5

文献信息

• Synthesis of precursors of iodine-labeled multifunctional ligands containing 2-nitroimidazole for the detection of hypoxic tissues and/or tumors
  作者：Sophie Monge、Jimmy Sélambarom、Jean Pierre Roque、André A Pavia

  DOI：10.1016/s0040-4020(01)01022-5

  日期：2001.12

  Biocompatible multifunctional ligands with telomeric structure containing 2-nitroimidazole as affinity marker and tosylate as precursor of I-123 radioactive tracer were prepared. Telomerization of appropriate monomers derived from tris(hydroxymethyl)-acrylamido-methane was performed in the presence of dodecanethiol, and either AIBN or tert-butylperoxide. These conjugates are designed to target hypoxic tissues and tumors. (C) 2001 Elsevier Science Ltd. All rights reserved.