4-methyl-8-nitro-1,5-benzodiazepin-2-one | 37546-88-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: 4-methyl-8-nitro-1,5-benzodiazepin-2-one
• 英文别名: 4-methyl-8-nitro-2,3-dihydro-1,5-benzodiazepin-2-one；8-Nitro-4-methyl-1H-2,3-dihydro-1,5-benzodiazepin-2-on；4-methyl-8-nitro-1,3-dihydro-benzo[b][1,4]diazepin-2-one；2,3-Dihydro-4-methyl-8-nitro-1H-1,5-benzodiazepin-2-one；4-methyl-8-nitro-1,3-dihydro-1,5-benzodiazepin-2-one
• CAS: 37546-88-6
• 化学式: C₁₀H₉N₃O₃
• 分子量: 219.2
• InChiKey: SPSMFAZVQTWOQE-UHFFFAOYSA-N

物化性质

• 沸点：
  438.4±45.0 °C(Predicted)
• 密度：
  1.48±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  87.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  异氰酸叔丁酯 、 4-methyl-8-nitro-1,5-benzodiazepin-2-one 在 叠氮基三甲基硅烷 、 对甲苯磺酸 作用下， 以 甲醇 为溶剂， 反应 1.0h， 以66%的产率得到4-(1-tert-butyl-1H-tetrazol-5-yl)-4-methyl-8-nitro-4,5-dihydro-1H-benzo[b][1,4]diazepin-2(3H)-one
  参考文献：
  名称：

  Synthesis of Highly Regioselective Bifunctional Tricyclic Tetrazole-1H-benzo[b][1,4]diazepins

  摘要：

  A new approach for the synthesis of arrays of bifunctional tricyclic tetrazole-1H-benzo[b][1,4]diazepines has been investigated. It includes a sequential two-step isocyanide-based condensation reaction of diamines or 2-nitroanilines, ethyl 3-oxobutanoate or 2,2,6-trimethyl-4H-1,3-dioxin-4-one, isocyanides and trimethylsilyl azide in good yields.

  DOI：

  10.1055/s-0033-1338953
• 作为产物：
  描述：

  4-硝基邻苯二胺 在 盐酸 作用下， 以 xylene 为溶剂， 反应 54.0h， 生成 4-methyl-8-nitro-1,5-benzodiazepin-2-one
  参考文献：
  名称：

  Abbassi, M. El; Essassi, E. M.; Fifani, J., Bulletin des Societes Chimiques Belges, 1997, vol. 106, # 4, p. 205 - 210

  摘要：

  DOI：

文献信息

• Synthesis and spectral properties of n-alkyl-4-methyl-7(8)-nitro-2,3,4,5-tetrahydro-(1h)-1,5-benzodiazepin-2-ones
  作者：B. A. Puodzhyunaite、R. A. Yanchene、P. B. Terent'ev、K. A. Abdurakhmanov、G. Dzhumakuliev

  DOI：10.1007/bf00474496

  日期：1992.7
• An easy route to synthesize 1,5-arylodiazepin-2-ones
  作者：Khalid Bougrin、A.Kella. Bennani、Souad Fkih Tétouani、Mohamed Soufiaoui

  DOI：10.1016/s0040-4039(00)74410-8

  日期：1994.11

  A series of 1,5-arylodiazepin-2-ones is prepared by the condensation of the appropriate o-beta-arylenediamines with beta-ketoesters in xylene under microwave irradiation. The reaction time is shortened to 10 mn, and the products are obtained in high yields. No by products are observed. Specific effects of microwaves are evidenced as no reaction occurs by classical heating in the same conditions.
• SOLOMKO Z. F.; TKACHENKO V. S.; KOST A. N.; BUDYLIN V. A.; PIKALOV V. L., XIMIYA GETEROTSIKL. SOEDINEN. <KGSS-AQ>, 1975, HO 4, 532-539
  作者：SOLOMKO Z. F.、 TKACHENKO V. S.、 KOST A. N.、 BUDYLIN V. A.、 PIKALOV V. L.

  DOI：——

  日期：——
• METHOD FOR PRODUCING A CONCENTRATE OF EICOSAPENTAENOIC AND DOCOSAHEXAENOIC ACID ESTERS
  申请人：Golden Omega S.A.

  公开号：EP2438819B1

  公开（公告）日：2013-04-24
• METHOD FOR PRODUCING A CONCENTRATE OF EICOSAPENTAENOIC AND DOCOSAHEXAENOIC ACIDS
  申请人：Golden Omega S.A.

  公开号：US20140005425A1

  公开（公告）日：2014-01-02

  The current invention describes processes for obtaining of concentrates of esters of eicosapentaenoic acid and docosahexaenoic acid for their use in massive and regular human consumption either as a pharmaceutical ingredient or as a food ingredient, which are characterized by having neutral and stable organoleptic properties, free of side effects, which are typical from marine oils derivatives, and with low content of Persistent Organic Pollutants (POP).