甲基-[3-(4-硝基-苯基)-丙基]-醚 | 103096-08-8

• 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: 甲基-[3-(4-硝基-苯基)-丙基]-醚
• 英文名称: methyl-[3-(4-nitro-phenyl)-propyl]-ether
• 英文别名: Methyl-[3-(4-nitro-phenyl)-propyl]-aether；1-(3-Methoxypropyl)-4-nitrobenzene
• CAS: 103096-08-8
• 化学式: C₁₀H₁₃NO₃
• 分子量: 195.218
• InChiKey: HRDNTYOXIGKHEI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  55
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  甲基-[3-(4-硝基-苯基)-丙基]-醚 在 乙醇 、 镍 作用下， 生成 N-(4-ethoxy-phenyl)-N'-[4-(3-methoxy-propyl)-phenyl]-thiourea
  参考文献：
  名称：

  1 (3)-alkoxyphenyl-3 (1)-alkylphenyl-2-thioureas

  摘要：

  公开号：

  US02686806A1
• 作为产物：
  描述：

  (3-甲氧基丙基)苯 在 硫酸 、 硝酸 作用下， 生成 甲基-[3-(4-硝基-苯基)-丙基]-醚
  参考文献：
  名称：

  Di-(p-n-butyl phenyl)-thiourea

  摘要：

  公开号：

  US02760976A1

文献信息

• Experiments on the <i>Chaperon</i> Effect in the Nitration of Aromatics
  作者：Paolo Strazzolini、Angelo G. Giumanini、Antonio Runcio、Massimo Scuccato

  DOI：10.1021/jo9709763

  日期：1998.2.1

  A nitro group may be effectively delivered to the ortho position of alkylbenzenes, provided that a suitable chaperon function is located in alpha-position and a dilute solution of HNO3 in CH2Cl2 is used. The carbonyl function of an aldehyde or ketone is the best choice, but a carboxyl, alkoxycarbonyl, and amide groups all work well. The ether function showed a less pronounced or tho orientation effect, whereas the hydroxyl group was too prone to oxidation. Side reactions were minimal under the conditions employed. A para chaperon effect was seemingly at work in the CH2Cl2 nitration of benzenepropanenitrile. All the results mere compared with the corresponding classical nitration in H2SO4.
• Ozone-Mediated Nitration of Phenylalkyl Ethers, Phenylacetic Esters, and Related Compounds with Nitrogen Dioxide. The Highest <i>Ortho</i> Substitution Observed in the Electrophilic Nitration of Arenes
  作者：Hitomi Suzuki、Toyomi Takeuchi、Tadashi Mori

  DOI：10.1021/jo9606867

  日期：1996.1.1

  Ey the combined action of ozonized oxygen and nitrogen dioxide (the kyodai-nitration), the title compounds were smoothly nitrated in dichloromethane at subzero degrees with high ortho positional selectivity. Although the conventional nitration of phenylacetic acid and esters mainly produces m- and p-nitro derivatives, the present nitration offers a simple high-yield synthesis of o-nitro derivatives which are important as precursor in organic synthesis, The proportions of the ortho isomer in the nitration products from methyl 2-phenylethyl ether and methyl phenylacetate were 71 and 88%, respectively, the latter value being the highest ortho isomer proportion so far observed in the electrophilic aromatic nitration. The observed high ortho selectivity has been rationalized in terms of radical cation intermediate and six-membered cyclic transition state.
• Di-(p-n-butyl phenyl)-thiourea
  申请人：CIBA PHARM PROD INC

  公开号：US02760976A1

  公开（公告）日：1956-08-28
• 1 (3)-alkoxyphenyl-3 (1)-alkylphenyl-2-thioureas
  申请人：CIBA PHARM PROD INC

  公开号：US02686806A1

  公开（公告）日：1954-08-17