1-甲基-4-(1-亚硝基乙烯基)苯 | 153629-88-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-甲基-4-(1-亚硝基乙烯基)苯
• 英文名称: Benzene, 1-methyl-4-(1-nitrosoethenyl)-
• 英文别名: 1-methyl-4-(1-nitrosoethenyl)benzene
• CAS: 153629-88-0
• 化学式: C₉H₉NO
• 分子量: 147.177
• InChiKey: UQLZHLADBMFFLZ-UHFFFAOYSA-N

物化性质

• 沸点：
  244.1±43.0 °C(Predicted)
• 密度：
  0.98±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  29.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-甲基-4-(1-亚硝基乙烯基)苯 以 苯 为溶剂， 反应 6.0h， 生成
  参考文献：
  名称：

  Regioselective and unusual [3+2] cycloadditions of α-nitrosostyrenes with 1,3-diaza-1,3-butadienes

  摘要：

  alpha-Nitrosostyrenes (2), generated in situ, underwent unusual regioselective [3+2]cycloadditions with 1,3-diaza-1,3-butadienes (1) leading to cyclic nitrones (5) in good yields. They also gave cyclic nitrones (8) with trisubstituted amidines (7).

  DOI：

  10.1016/s0040-4039(00)61523-x
• 作为产物：
  描述：

  1-Methyl-4-<1-chlor-1-nitroso-ethyl>-benzol 在 三乙胺 作用下， 以 乙醇 为溶剂， 反应 0.25h， 生成 1-甲基-4-(1-亚硝基乙烯基)苯
  参考文献：
  名称：

  Synthesis of new series of 5,6-dihydro-4H-1,2-oxazines via hetero Diels–Alder reaction and evaluation of antimicrobial activity

  摘要：

  A new series of 5,6-dihydro-4H-1,2-oxazines were synthesized via hetero Diels-Alder reaction of alpha-nitrosoolefins with alkenes. alpha-Nitrosoolefins were generated from ketoximes by the action of chloramine-T. The newly synthesized compounds were characterized with IR, NMR, elemental analysis and screened for their antimicrobial activity; they exhibited excellent antimicrobial activity. The minimal inhibitory concentration of the compounds was in the range of 10-35 mu g ml(-1) for bacteria and 10-40 mu g ml(-1) for fungi. (C) 2008 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2008.02.027

文献信息

• Sharma Arun K., Mahajan Mohinder P., Heterocycles, 40 (1995) N 2, S 787-800
  作者：Sharma Arun K., Mahajan Mohinder P.

  DOI：——

  日期：——
• Synthesis of new series of 5,6-dihydro-4H-1,2-oxazines via hetero Diels–Alder reaction and evaluation of antimicrobial activity
  作者：M.K. Manjula、K.M.L. Rai、S.L. Gaonkar、K.A. Raveesha、S. Satish

  DOI：10.1016/j.ejmech.2008.02.027

  日期：2009.1

  A new series of 5,6-dihydro-4H-1,2-oxazines were synthesized via hetero Diels-Alder reaction of alpha-nitrosoolefins with alkenes. alpha-Nitrosoolefins were generated from ketoximes by the action of chloramine-T. The newly synthesized compounds were characterized with IR, NMR, elemental analysis and screened for their antimicrobial activity; they exhibited excellent antimicrobial activity. The minimal inhibitory concentration of the compounds was in the range of 10-35 mu g ml(-1) for bacteria and 10-40 mu g ml(-1) for fungi. (C) 2008 Elsevier Masson SAS. All rights reserved.
• Regioselective and unusual [3+2] cycloadditions of α-nitrosostyrenes with 1,3-diaza-1,3-butadienes
  作者：Arun K. Sharma、Sujit N. Mazumdar、Mohinder P. Mahajan

  DOI：10.1016/s0040-4039(00)61523-x

  日期：1993.12

  alpha-Nitrosostyrenes (2), generated in situ, underwent unusual regioselective [3+2]cycloadditions with 1,3-diaza-1,3-butadienes (1) leading to cyclic nitrones (5) in good yields. They also gave cyclic nitrones (8) with trisubstituted amidines (7).