1-(3-amino-4-tert-butyl-2,6-dimethyl-5-nitrophenyl)ethanone | 255393-52-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(3-amino-4-tert-butyl-2,6-dimethyl-5-nitrophenyl)ethanone
• 英文别名: amino musk ketone；2-NH2-musk ketone；2-amino musk ketone
• CAS: 255393-52-3
• 化学式: C₁₄H₂₀N₂O₃
• 分子量: 264.324
• InChiKey: LJSWALFRJPDUQU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  88.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  酮麝香 在 钯 、 氢化铝 ammonium formate 作用下， 以 甲醇 为溶剂， 生成 1-(3-amino-4-tert-butyl-2,6-dimethyl-5-nitrophenyl)ethanone
  参考文献：
  名称：

  Nitro musks, nitro musk amino metabolites and polycyclic musks in sewage sludges

  摘要：

  Nitro- and polycyclic musks were quantified in sewage sludge samples from different catchment areas using high-resolution gas chromatography (HRGC) and ion-trap MS/MS. Collision induced dissociation (CID) turned out to be a useful tool for quantification of the analytes. Negative chemical ionization (NCI) quadrupole MS in the selected ion mode (SIM) showed similar sensitivities compared to ion trap MS/MS. Among the nitro musks, musk ketone (MK) and musk xylene (MX) were the main compounds in predominantly domestic sewage sludges, found at low mu g/kg dry matter (d.m.) whereas polycyclic musks were present in domestic as well as in industrial sludges up to 12 mg/kg d.m. Galaxolide (HHCB) and Tonalide (AHTN) were the major polycyclic musks found in the sludges. Amino metabolites of the nitro musks, amino musk xylene (AMA), amino musk moskene (AMM) and amino musk ketone (AMK) were detected for the first time in sewage sludges, and reached partly higher concentrations compared to the parent compounds. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0045-6535(99)00325-2

文献信息

• Occurrence of musk xylene and musk ketone metabolites in the aquatic environment
  作者：Robert Gatermann、Heinrich Hühnerfuss、Gerhard Rimkus、A. Attar、A. Kettrup

  DOI：10.1016/s0045-6535(97)10208-9

  日期：1998.5

  Quantification of musk xylene (MX) and musk ketone (MK) was for the first time achieved in aquatic environmental samples simultaneously with their transformation products 4-amino-MX, 2-amino-MX, and 2-amino-MK at a ng/L level using liquid-liquid extraction and subsequent GC-MS and GC with AFID detection. Thus, the transformation of nitro musks to the corresponding amines could be studied in samples of the sewage plant Hamburg and of the river Elbe. In the influent of the sewage treatment plant concentrations of 150 and 550 ng/L were found for MX and MK, respectively, while in the effluent the corresponding values were 10 and 6 ng/L. The amino derivatives as transformation products were not detectable in the influent samples, however, values of 10 ng/L (2-amino-MX), 34 ng/L, (4-amino-MX), and 250 ng/L (2-amino-MK) were found in the effluent samples. These latter concentrations were 4 to 40 times higher than the parent compounds. The simultaneous decrease in the nitro musk concentrations and the increase in the amino derivatives suggest that, besides adsorption at the sludge, this transformation pathway plays an important role. In the Elbe river the concentrations of 4-amino-MX attained at least 3 to 10 fold higher values (1 - 9 ng/L) than the parent compound, while 2-amino-MK exhibited a concentration of 7 ng/L. These results suggest that monitoring programmes as well as risk assessments of nitro musks in aquatic ecosystems should include the trans-formation products such as the amino derivatives investigated herein. (C) 1998 Elsevier Science Ltd. All rights reserved.
• Nitro musks, nitro musk amino metabolites and polycyclic musks in sewage sludges
  作者：D Herren、J.D Berset

  DOI：10.1016/s0045-6535(99)00325-2

  日期：2000.3

  Nitro- and polycyclic musks were quantified in sewage sludge samples from different catchment areas using high-resolution gas chromatography (HRGC) and ion-trap MS/MS. Collision induced dissociation (CID) turned out to be a useful tool for quantification of the analytes. Negative chemical ionization (NCI) quadrupole MS in the selected ion mode (SIM) showed similar sensitivities compared to ion trap MS/MS. Among the nitro musks, musk ketone (MK) and musk xylene (MX) were the main compounds in predominantly domestic sewage sludges, found at low mu g/kg dry matter (d.m.) whereas polycyclic musks were present in domestic as well as in industrial sludges up to 12 mg/kg d.m. Galaxolide (HHCB) and Tonalide (AHTN) were the major polycyclic musks found in the sludges. Amino metabolites of the nitro musks, amino musk xylene (AMA), amino musk moskene (AMM) and amino musk ketone (AMK) were detected for the first time in sewage sludges, and reached partly higher concentrations compared to the parent compounds. (C) 1999 Elsevier Science Ltd. All rights reserved.