2-amino-N(1)-isobutyl-4-methylaniline | 649763-41-7

• 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: 2-amino-N(1)-isobutyl-4-methylaniline
• 英文别名: N1-Isobutyl-4-methylbenzene-1,2-diamine；4-methyl-1-N-(2-methylpropyl)benzene-1,2-diamine
• CAS: 649763-41-7
• 化学式: C₁₁H₁₈N₂
• 分子量: 178.277
• InChiKey: HTBZFEUIIPMEGA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  38
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  四氧嘧啶 、 2-amino-N(1)-isobutyl-4-methylaniline 在 boron trioxide 、 溶剂黄146 作用下， 反应 3.0h， 以62%的产率得到7-methyl-N(10)-isobutylisoalloxazine
  参考文献：
  名称：

  Model Systems for Flavoenzyme Activity:  Relationships between Cofactor Structure, Binding and Redox Properties

  摘要：

  A series of flavins were synthesized bearing electron-withdrawing and -donating substituents. The electrochemical properties of these flavins in a nonpolar solvent were determined. The recognition of these flavins by a diamidopyridine (DAP) receptor and the effect this receptor has on flavin redox potential was also quantified. It was found that the DAP-flavin binding affinity and the reduction potentials (E-1/2) for both the DAP-bound and unbound flavins correlated well with functions derived from linear free energy relationships (LFERs). These results provide insight and predictive capability for the interplay of electronics and redox state-specific interactions for both abiotic and enzymatic systems.

  DOI：

  10.1021/ja036940b
• 作为产物：
  描述：

  N-(2-amino-4-methylphenyl)-2-methylpropanamide 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 以85%的产率得到2-amino-N(1)-isobutyl-4-methylaniline
  参考文献：
  名称：

  Model Systems for Flavoenzyme Activity:  Relationships between Cofactor Structure, Binding and Redox Properties

  摘要：

  A series of flavins were synthesized bearing electron-withdrawing and -donating substituents. The electrochemical properties of these flavins in a nonpolar solvent were determined. The recognition of these flavins by a diamidopyridine (DAP) receptor and the effect this receptor has on flavin redox potential was also quantified. It was found that the DAP-flavin binding affinity and the reduction potentials (E-1/2) for both the DAP-bound and unbound flavins correlated well with functions derived from linear free energy relationships (LFERs). These results provide insight and predictive capability for the interplay of electronics and redox state-specific interactions for both abiotic and enzymatic systems.

  DOI：

  10.1021/ja036940b

文献信息

• FUSED HETEROCYCLIC COMPOUND AND USE THEREOF
  申请人：TAKAHASHI Masaki

  公开号：US20120178779A1

  公开（公告）日：2012-07-12

  A fused heterocyclic compound of formula (1): wherein, A 1 and A 2 represent a nitrogen atom or the like, R 1 , R 2 , R 3 and R 4 represent a halogen atom or the like, R 2 and R 3 represent a halogen atom or the like, R 5 represents a C1-C6 chain hydrocarbon group optionally substituted with one or more halogen atoms, or the like, R 6 and R 7 represent a C1-C4 chain hydrocarbon group substituted with one or more halogen atoms, or the like, and n represents 0 or 1, has an excellent noxious arthropod controlling effect.

  公式（1）所示的融合杂环化合物：其中，A1和A2表示氮原子或类似物，R1、R2、R3和R4表示卤素原子或类似物，R2和R3表示卤素原子或类似物，R5表示C1-C6链烃基，可选地被一个或多个卤素原子或类似物取代，R6和R7表示被一个或多个卤素原子或类似物取代的C1-C4链烃基，n表示0或1，具有优异的有害节肢动物控制效果。
• US8273764B2
  申请人：——

  公开号：US8273764B2

  公开（公告）日：2012-09-25
• US8461181B2
  申请人：——

  公开号：US8461181B2

  公开（公告）日：2013-06-11
• Model Systems for Flavoenzyme Activity:  Relationships between Cofactor Structure, Binding and Redox Properties
  作者：Yves-Marie Legrand、Mark Gray、Graeme Cooke、Vincent M. Rotello

  DOI：10.1021/ja036940b

  日期：2003.12.1

  A series of flavins were synthesized bearing electron-withdrawing and -donating substituents. The electrochemical properties of these flavins in a nonpolar solvent were determined. The recognition of these flavins by a diamidopyridine (DAP) receptor and the effect this receptor has on flavin redox potential was also quantified. It was found that the DAP-flavin binding affinity and the reduction potentials (E-1/2) for both the DAP-bound and unbound flavins correlated well with functions derived from linear free energy relationships (LFERs). These results provide insight and predictive capability for the interplay of electronics and redox state-specific interactions for both abiotic and enzymatic systems.