2-acrylamido-2-(4'-methoxycarbonyl-2'-oxabutyl)propan-1,3-diol | 444903-08-6

• 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: 2-acrylamido-2-(4'-methoxycarbonyl-2'-oxabutyl)propan-1,3-diol
• 英文别名: Methyl 3-[3-hydroxy-2-(hydroxymethyl)-2-(prop-2-enoylamino)propoxy]propanoate
• CAS: 444903-08-6
• 化学式: C₁₁H₁₉NO₆
• 分子量: 261.275
• InChiKey: LQMYNSUTZQGOLZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.7
• 重原子数：
  18
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  105
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-acrylamido-2-(4'-methoxycarbonyl-2'-oxabutyl)propan-1,3-diol 、 2-acrylamido-2-(2'-oxa-5'-tosyloxypentyl)propan-1,3-diol 、 十二硫醇 在 偶氮二异丁腈 作用下， 以 甲醇 为溶剂， 反应 8.0h， 以50%的产率得到Methyl 3-[2-[[14-(dodecylsulfanylmethyl)-4,6-bis[[1-hydroxy-2-(hydroxymethyl)-3-(3-methoxy-3-oxopropoxy)propan-2-yl]carbamoyl]-15-[[1-hydroxy-2-(hydroxymethyl)-3-[3-(4-methylphenyl)sulfonyloxypropoxy]propan-2-yl]amino]-8,10,12-tris[[1-hydroxy-2-(hydroxymethyl)-3-[3-(4-methylphenyl)sulfonyloxypropoxy]propan-2-yl]carbamoyl]-15-oxopentadecanoyl]amino]-3-hydroxy-2-(hydroxymethyl)propoxy]propanoate
  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：

  cis-2,8-diphenyl-5-(4'-ethoxycarbonyl-2'-oxabutyl)-1-aza-3,7-dioxabicyclo[3.3.0]octane 在 盐酸 、 sodium methylate 、 三乙胺 、 sodium nitrite 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 5.0h， 生成 2-acrylamido-2-(4'-methoxycarbonyl-2'-oxabutyl)propan-1,3-diol
  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