methyl (2S)-2-(benzylamino)-3-[[(2S)-2-(benzylamino)-3-methoxy-3-oxopropyl]-[(4-methoxyphenyl)methyl]amino]propanoate | 252875-71-1

• 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: methyl (2S)-2-(benzylamino)-3-[[(2S)-2-(benzylamino)-3-methoxy-3-oxopropyl]-[(4-methoxyphenyl)methyl]amino]propanoate
• CAS: 252875-71-1
• 化学式: C₃₀H₃₇N₃O₅
• 分子量: 519.641
• InChiKey: WDFUBFWUSUNGEQ-NSOVKSMOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  38
• 可旋转键数：
  17
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  89.1
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  甲磺酸,三氟-,1,2-乙二基酯 、 methyl (2S)-2-(benzylamino)-3-[[(2S)-2-(benzylamino)-3-methoxy-3-oxopropyl]-[(4-methoxyphenyl)methyl]amino]propanoate 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 48.0h， 以35%的产率得到tetramethyl (2S,6S,11S,15S)-1,7,10,16-tetrabenzyl-4,13-bis[(4-methoxyphenyl)methyl]-1,4,7,10,13,16-hexazacyclooctadecane-2,6,11,15-tetracarboxylate
  参考文献：
  名称：

  A short synthesis of chiral peraza-macrocycles through opening of cyclic sulfamidates

  摘要：

  Efficient and general synthetic methods for novel chiral peraza-macrocycles have been developed. Sequential reactions of the known cyclic sulfamidate 4 derived from N-benzyl-L-serine methyl ester with p-methoxybenzylamine provided a symmetric triamine 3, which served as a building block for the construction of various chiral peraza-macrocycles. Reaction of the triamine. with a proper connecting unit provided [18]-N-6 or [10]-N-3 chiral peraza-macrocycles. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)01545-2
• 作为产物：
  描述：

  4-甲氧基苄胺 以 乙腈 为溶剂， 反应 16.0h， 生成 methyl (2S)-2-(benzylamino)-3-[[(2S)-2-(benzylamino)-3-methoxy-3-oxopropyl]-[(4-methoxyphenyl)methyl]amino]propanoate
  参考文献：
  名称：

  A short synthesis of chiral peraza-macrocycles through opening of cyclic sulfamidates

  摘要：

  Efficient and general synthetic methods for novel chiral peraza-macrocycles have been developed. Sequential reactions of the known cyclic sulfamidate 4 derived from N-benzyl-L-serine methyl ester with p-methoxybenzylamine provided a symmetric triamine 3, which served as a building block for the construction of various chiral peraza-macrocycles. Reaction of the triamine. with a proper connecting unit provided [18]-N-6 or [10]-N-3 chiral peraza-macrocycles. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)01545-2

文献信息

• A short synthesis of chiral peraza-macrocycles through opening of cyclic sulfamidates
  作者：B.Moon Kim、Soon Mog So

  DOI：10.1016/s0040-4039(99)01545-2

  日期：1999.10

  Efficient and general synthetic methods for novel chiral peraza-macrocycles have been developed. Sequential reactions of the known cyclic sulfamidate 4 derived from N-benzyl-L-serine methyl ester with p-methoxybenzylamine provided a symmetric triamine 3, which served as a building block for the construction of various chiral peraza-macrocycles. Reaction of the triamine. with a proper connecting unit provided [18]-N-6 or [10]-N-3 chiral peraza-macrocycles. (C) 1999 Elsevier Science Ltd. All rights reserved.