3-[5-(tert-butoxycarbonylamino-methyl)-4-carboxymethyl-pyrrol-3-yl]-propionic acid | 58950-44-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 3-[5-(tert-butoxycarbonylamino-methyl)-4-carboxymethyl-pyrrol-3-yl]-propionic acid
• 英文别名: 3-[4-(carboxymethyl)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1H-pyrrol-3-yl]propanoic acid
• CAS: 58950-44-0
• 化学式: C₁₅H₂₂N₂O₆
• 分子量: 326.349
• InChiKey: FOSYKAAFWHHROZ-UHFFFAOYSA-N

物化性质

• 沸点：
  555.4±50.0 °C(Predicted)
• 密度：
  1.303±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.68
• 重原子数：
  23.0
• 可旋转键数：
  7.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  128.72
• 氢给体数：
  4.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  3-[5-(tert-butoxycarbonylamino-methyl)-4-carboxymethyl-pyrrol-3-yl]-propionic acid 在 potassium carbonate 作用下， 以 乙醚 、 N,N-二甲基甲酰胺 为溶剂， 反应 16.5h， 生成 3-[5-(tert-Butoxycarbonylamino-methyl)-4-tert-butoxycarbonylmethyl-2-(2,2,2-trichloro-acetyl)-1H-pyrrol-3-yl]-propionic acid tert-butyl ester
  参考文献：
  名称：

  Synthesis of immunocomponents for the measurement of lead (Pb) by fluorescence polarization immunoassay

  摘要：

  Three novel haptens (5b, 9b, 11b) were synthesized from porphobilinogen (2) and conjugated to bovine serum albumin to afford immunogens (6, 10, 12). Five fluorescent tracers (14, 17, 19, 29, 32) were prepared from porphobilinogen (2), or haptens (9b, 11b, 20b) in >98% purity. The immunogens (6, 10, 12) were utilized for generation of polyclonal antibodies and the best tracer-antibody combination was selected to construct the calibration curve for the measurement of lead. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)00060-x
• 作为产物：
  描述：

  二碳酸二叔丁酯 、 5-9氨基甲基)-4-(羧甲基)-1H-吡咯-3-丙酸 在 sodium carbonate 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 4.0h， 以94%的产率得到3-[5-(tert-butoxycarbonylamino-methyl)-4-carboxymethyl-pyrrol-3-yl]-propionic acid
  参考文献：
  名称：

  Synthesis of immunocomponents for the measurement of lead (Pb) by fluorescence polarization immunoassay

  摘要：

  Three novel haptens (5b, 9b, 11b) were synthesized from porphobilinogen (2) and conjugated to bovine serum albumin to afford immunogens (6, 10, 12). Five fluorescent tracers (14, 17, 19, 29, 32) were prepared from porphobilinogen (2), or haptens (9b, 11b, 20b) in >98% purity. The immunogens (6, 10, 12) were utilized for generation of polyclonal antibodies and the best tracer-antibody combination was selected to construct the calibration curve for the measurement of lead. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)00060-x