2-(benzyloxycarbonyl)aminomethyl-7-(t-butoxycarbonylaminomethyl)naphthalene | 473220-09-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-(benzyloxycarbonyl)aminomethyl-7-(t-butoxycarbonylaminomethyl)naphthalene
• CAS: 473220-09-6
• 化学式: C₂₅H₂₈N₂O₄
• 分子量: 420.508
• InChiKey: FSXXMJFXDFHSCA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.29
• 重原子数：
  31.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  76.66
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-(benzyloxycarbonyl)aminomethyl-7-(t-butoxycarbonylaminomethyl)naphthalene 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 、 乙酸乙酯 、 甲苯 为溶剂， 反应 5.17h， 生成 7-{7-(t-butoxycarbonyl)aminomethyl-2-naphthylmethyl}naphthalene-2-carbonitrile
  参考文献：
  名称：

  Folding of dihelicenetriamines in water

  摘要：

  Diastereomeric triamines containing two helicene moieties, 1,12-dimethylbenzo[c]phenanthrene, were synthesized and found to form folded structures in the water. Such folding was not observed for an achiral compound possessing a naphthalene moiety. The (M,M)-dihelicenetriamine with matching configuration at the helicene moieties formed a more stable folded structure than the (P,M)-isomer containing two enantiomeric helicene groups. The most stable folded conformation was predicted by the Monte Carlo method with Amber force field of the dihelicenetriamine. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(02)00249-5
• 作为产物：
  描述：

  2,7-萘二羧酸 在 sodium hydroxide 、 氯化亚砜 、 氨 、 二异丁基氢化铝 作用下， 以 正己烷 、 二氯甲烷 为溶剂， 反应 22.5h， 生成 2-(benzyloxycarbonyl)aminomethyl-7-(t-butoxycarbonylaminomethyl)naphthalene
  参考文献：
  名称：

  Folding of dihelicenetriamines in water

  摘要：

  Diastereomeric triamines containing two helicene moieties, 1,12-dimethylbenzo[c]phenanthrene, were synthesized and found to form folded structures in the water. Such folding was not observed for an achiral compound possessing a naphthalene moiety. The (M,M)-dihelicenetriamine with matching configuration at the helicene moieties formed a more stable folded structure than the (P,M)-isomer containing two enantiomeric helicene groups. The most stable folded conformation was predicted by the Monte Carlo method with Amber force field of the dihelicenetriamine. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(02)00249-5

文献信息

• Folding of dihelicenetriamines in water
  作者：Shinobu Honzawa、Hitoshi Okubo、Keiichi Nakamura、Shuzo Anzai、Masahiko Yamaguchi、Chizuko Kabuto

  DOI：10.1016/s0957-4166(02)00249-5

  日期：2002.6

  Diastereomeric triamines containing two helicene moieties, 1,12-dimethylbenzo[c]phenanthrene, were synthesized and found to form folded structures in the water. Such folding was not observed for an achiral compound possessing a naphthalene moiety. The (M,M)-dihelicenetriamine with matching configuration at the helicene moieties formed a more stable folded structure than the (P,M)-isomer containing two enantiomeric helicene groups. The most stable folded conformation was predicted by the Monte Carlo method with Amber force field of the dihelicenetriamine. (C) 2002 Elsevier Science Ltd. All rights reserved.