2-甲基-2-丙基(2E)-2-戊亚基肼羧酸酯 | 397870-05-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 2-甲基-2-丙基(2E)-2-戊亚基肼羧酸酯
• 英文名称: t-butyl-2-pentylidenhydrazinecarboxylate
• 英文别名: t-Butyl-2-pentylidenhydrazincarboxylate；tert-butyl N-(pentylideneamino)carbamate
• CAS: 397870-05-2
• 化学式: C₁₀H₂₀N₂O₂
• 分子量: 200.281
• InChiKey: QEGVXVCUVQKBEN-UHFFFAOYSA-N

物化性质

• 密度：
  0.95±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  50.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-甲基-2-丙基(2E)-2-戊亚基肼羧酸酯 在 光气 、 三光气 、 sodium cyanoborohydride 、 溶剂黄146 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 1.17h， 生成 (S)-4,5-dibenzyl-2-pentyl-1,2,4-triazine-3,6-dione
  参考文献：
  名称：

  Combinatorial Aid for Underprivileged Scaffolds: Solution and Solid-phase Strategies for a Rapid and Efficient Access To Novel Aza-diketopiperazines (Aza-DKP)

  摘要：

  An efficient solution-phase synthesis of aza-diketopiperazines (aza-DKP, triazinediones) is reported. A structurally diverse collection of c-[aza-alkylGly-Pro] derivatives and yet unreported 2,4,5-trisubstituted-1,2,4-triazine-3,6-diones has been synthesized starting from Fmoc-L-Pro-OH and various Fmoc-L-amino acids. To extend the practical value of this class of dipeptidomimetics, a general solid-phase synthesis approach amenable to library production was developed on both Wang-PS and HMBA-PS resins. The final acidic treatment of the resins in TFA/water mixture at room temperature enabled the rapid and quantitative cyclization/release highly pure triazinediones. The conformational preferences and the spatial organization of the three substituents of a representative 2,4,5-trisubstituted-1,2,4-triazine-3,6-dione were investigated by X-ray diffraction and H-1 NMR spectroscopy.

  DOI：

  10.1021/co300015k
• 作为产物：
  描述：

  肼基甲酸叔丁酯 、 正戊酸 以 正己烷 为溶剂， 反应 0.5h， 以89%的产率得到2-甲基-2-丙基(2E)-2-戊亚基肼羧酸酯
  参考文献：
  名称：

  US2014/343294

  摘要：

  公开号：

文献信息

• Pharmaceutical compounds wiht angiogenesis inbhibitory activity
  申请人：Kemotech S.r.l.

  公开号：EP2789619A1

  公开（公告）日：2014-10-15

  Compounds of formula (I): wherein: A, R, T, Q, L, Z, G, X and A' are as defined in the description. B and D, equal to or different from each other, are selected between heteroaryl and aryl, wherein at least one of the hydrogen atoms of said heteroaryl and aryl are substituted with groups selected from SO3-, SO3H, COO-, COOH, and one or more of the other hydrogen atoms of said heteroaryl and aryl are optionally substituted as reported in the description.

  式（I）的化合物：其中：A、R、T、Q、L、Z、G、X和A'如描述中所定义。B和D，相等或不同，选自杂芳基和芳基，其中所述杂芳基和芳基的至少一个氢原子被取代为SO3-、SO3H、COO-、COOH中的一种或几种基团，所述杂芳基和芳基的其他氢原子可选择性地被取代，如描述中所述。
• Pharmaceutical compounds
  申请人：KEMOTECH S.r.l.

  公开号：US09181196B2

  公开（公告）日：2015-11-10

  Compounds of formula (I): wherein: A, R, T, Q, L, Z, G, X and A′ are as defined in the description. B and D, equal to or different from each other, are selected between heteroaryl and aryl, wherein at least one of the hydrogen atoms of said heteroaryl and aryl are substituted with groups selected from SO3−, SO3H, COO−, COOH, and one or more of the other hydrogen atoms of said heteroaryl and aryl are optionally substituted as reported in the description.

  化合物的化学式（I）： 其中： A，R，T，Q，L，Z，G，X和A′的定义如描述中所定义。 B和D相等或不同，选自杂环芳香族和芳香族。其中，至少有一个来自所述杂环芳香族和芳香族的氢原子被取代为SO3−，SO3H，COO−，COOH中的一种基团，所述杂环芳香族和芳香族的一个或多个其他氢原子可以选择地被取代，如描述中所述。
• US20140343294A1
  申请人：——

  公开号：——

  公开（公告）日：——
• Combinatorial Aid for Underprivileged Scaffolds: Solution and Solid-phase Strategies for a Rapid and Efficient Access To Novel Aza-diketopiperazines (Aza-DKP)
  作者：Dominique Bonnet、Jean-François Margathe、Sally Radford、Elsa Pflimlin、Stéphanie Riché、Pete Doman、Marcel Hibert、A. Ganesan

  DOI：10.1021/co300015k

  日期：2012.5.14

  An efficient solution-phase synthesis of aza-diketopiperazines (aza-DKP, triazinediones) is reported. A structurally diverse collection of c-[aza-alkylGly-Pro] derivatives and yet unreported 2,4,5-trisubstituted-1,2,4-triazine-3,6-diones has been synthesized starting from Fmoc-L-Pro-OH and various Fmoc-L-amino acids. To extend the practical value of this class of dipeptidomimetics, a general solid-phase synthesis approach amenable to library production was developed on both Wang-PS and HMBA-PS resins. The final acidic treatment of the resins in TFA/water mixture at room temperature enabled the rapid and quantitative cyclization/release highly pure triazinediones. The conformational preferences and the spatial organization of the three substituents of a representative 2,4,5-trisubstituted-1,2,4-triazine-3,6-dione were investigated by X-ray diffraction and H-1 NMR spectroscopy.
• US2014/343294
  申请人：——

  公开号：——

  公开（公告）日：——