4-[(3-Hydroxy-3,5-dimethylhex-5-enoxy)carbonylamino]benzoic acid | 457898-94-1

• 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: 4-[(3-Hydroxy-3,5-dimethylhex-5-enoxy)carbonylamino]benzoic acid
• 英文别名: 4-[(3-hydroxy-3,5-dimethylhex-5-enoxy)carbonylamino]benzoic acid
• CAS: 457898-94-1
• 化学式: C₁₆H₂₁NO₅
• 分子量: 307.346
• InChiKey: WMLUEJICPDJLQD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  22
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  95.9
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-[(3-Hydroxy-3,5-dimethylhex-5-enoxy)carbonylamino]benzoic acid 在 四氧化锇 、 N-甲基吲哚酮 、 lead(IV) acetate 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以63%的产率得到4-[(3-Hydroxy-3-methyl-5-oxohexoxy)carbonylamino]benzoic acid
  参考文献：
  名称：

  Development of a genetic selection for catalytic antibodies

  摘要：

  The design and evaluation of a new genetic selection system for evolving catalytic antibodies with aldolase activity are described. Through a series of model selections, we have identified selection conditions where expression of a catalytically active antibody confers a growth advantage to Escherichia coli. In addition, we provide evidence that the growth advantage is a direct result of catalytic activity. (C) 2002 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(02)00198-1
• 作为产物：
  描述：

  3,5-dimethyl-5-hexene-1,3-diol 在 sodium hydroxide 作用下， 以 乙醇 、 甲苯 为溶剂， 生成 4-[(3-Hydroxy-3,5-dimethylhex-5-enoxy)carbonylamino]benzoic acid
  参考文献：
  名称：

  Development of a genetic selection for catalytic antibodies

  摘要：

  The design and evaluation of a new genetic selection system for evolving catalytic antibodies with aldolase activity are described. Through a series of model selections, we have identified selection conditions where expression of a catalytically active antibody confers a growth advantage to Escherichia coli. In addition, we provide evidence that the growth advantage is a direct result of catalytic activity. (C) 2002 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(02)00198-1