4-(6-{Amino-[(Z)-4-methoxy-benzyloxycarbonylimino]-methyl}-naphthalen-2-yloxymethyl)-benzoic acid methyl ester | 239796-27-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 4-(6-{Amino-[(Z)-4-methoxy-benzyloxycarbonylimino]-methyl}-naphthalen-2-yloxymethyl)-benzoic acid methyl ester
• 英文别名: methyl 4-[[6-[N'-[(4-methoxyphenyl)methoxycarbonyl]carbamimidoyl]naphthalen-2-yl]oxymethyl]benzoate
• CAS: 239796-27-1
• 化学式: C₂₉H₂₆N₂O₆
• 分子量: 498.535
• InChiKey: FPIRHEKSVZBHSD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  37
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  109
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  三氟乙酸 、 4-(6-{Amino-[(Z)-4-methoxy-benzyloxycarbonylimino]-methyl}-naphthalen-2-yloxymethyl)-benzoic acid methyl ester 以 二氯甲烷 为溶剂， 以74%的产率得到4-(6-Carbamimidoyl-naphthalen-2-yloxymethyl)-benzoic acid methyl ester; compound with trifluoro-acetic acid
  参考文献：
  名称：

  Amidine protection for solution phase library synthesis

  摘要：

  The application of 4-methoxybenzyl-4-nitrophenylcarbonate as a reagent for the N-protection of amidinonaphthol has been demonstrated. The facile introduction of the 4-methoxybenzyloxycarbonyl group and the mildness of the deprotection conditions make this reagent well suited for the multiparallel solution phase synthesis of substituted benzamidines. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)00891-6
• 作为产物：
  描述：

  4-甲氧基苄基-4-硝基苯基碳酸酯 在 potassium carbonate 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 18.0h， 生成 4-(6-{Amino-[(Z)-4-methoxy-benzyloxycarbonylimino]-methyl}-naphthalen-2-yloxymethyl)-benzoic acid methyl ester
  参考文献：
  名称：

  Amidine protection for solution phase library synthesis

  摘要：

  The application of 4-methoxybenzyl-4-nitrophenylcarbonate as a reagent for the N-protection of amidinonaphthol has been demonstrated. The facile introduction of the 4-methoxybenzyloxycarbonyl group and the mildness of the deprotection conditions make this reagent well suited for the multiparallel solution phase synthesis of substituted benzamidines. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)00891-6

文献信息

• Amidine protection for solution phase library synthesis
  作者：Christine Bailey、Emma Baker、Judy Hayler、Peter Kane

  DOI：10.1016/s0040-4039(99)00891-6

  日期：1999.6

  The application of 4-methoxybenzyl-4-nitrophenylcarbonate as a reagent for the N-protection of amidinonaphthol has been demonstrated. The facile introduction of the 4-methoxybenzyloxycarbonyl group and the mildness of the deprotection conditions make this reagent well suited for the multiparallel solution phase synthesis of substituted benzamidines. (C) 1999 Elsevier Science Ltd. All rights reserved.