1-(β-methoxyethyl)2-nitrobenzene | 102871-91-0

• 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: 1-(β-methoxyethyl)2-nitrobenzene
• 英文别名: 1-(2-Methoxyethyl)2-nitrobenzene；1-(2-methoxyethyl)-2-nitrobenzene
• CAS: 102871-91-0
• 化学式: C₉H₁₁NO₃
• 分子量: 181.191
• InChiKey: GQDDMTHRSOAJBJ-UHFFFAOYSA-N

物化性质

• 沸点：
  250.0±15.0 °C(Predicted)
• 密度：
  1.154±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 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：

  1-(β-methoxyethyl)2-nitrobenzene 在 tin(ll) chloride 作用下， 生成 2-(2-methoxyethyl)aniline
  参考文献：
  名称：

  光化学转化。第二十八部分。芳基叠氮化物作为潜在的光敏保护基

  摘要：

  已经探索了某些芳族叠氮化物作为光敏保护基的潜力。用β-（邻叠氮基苯基）乙醇的烷基或酰基衍生物光解产生吲哚和相应的醇或酸。而ø -azidobenzyl苯甲酸酯光解在质子溶剂，得到的聚合物和小游离酸的衍生物，5-叠氮基-4-羟基甲基-1-甲氧基萘更有效地与受保护基团的释放光解。

  DOI：

  10.1039/j39710000721
• 作为产物：
  描述：

  2-(2-硝基苯基)乙醇 、 硫酸二甲酯 在 苄基三乙基氯化铵 sodium hydroxide 作用下， 以 甲苯 为溶剂， 反应 6.0h， 以90%的产率得到1-(β-methoxyethyl)2-nitrobenzene
  参考文献：
  名称：

  Synthesis of 2-(2-methoxyethyl)- and 2-(2-thiomethoxyethyl)-aniline and related compounds

  摘要：

  2-(2-Nitrophenyl)-ethanol (2) was methylated with dimethyl sulfate to give 2-(2-methoxyethyl)-1-nitrobenzene (3a) which then was reduced with hydrazine hydrate in the presence of Raney nickel to 2-(2-methoxyethyl)-aniline (1a). Compound 1a can be transformed into the N-monosilylated derivative 4 by lithiation with n-butyllithium and subsequent reaction with chlorotrimethylsilane. Reaction of 2 with p-toluenesulfonyl chloride yields 2-(2-nitrophenyl)-ethyl p-toluenesulfonate (5), which reacts with sodium thiomethoxide to give 2-(2-thiomethoxyethyl)-1-nitrobenzene (3b). 3b was reduced with hydrazine hydrate in the presence of Raney nickel to yield 2-(2-thiomethoxyethyl)-aniline (1b). Ethyl (2-nitrophenyl)-acetate (6) could be dimethylated with methyl iodide in the presence of potassium tert-butoxide and 18-crown-6 to give ethyl 2-methyl-2-(2-nitrophenyl)-propionate (7). Reduction of 7 with lithium borohydride yields 2,3-dihydro-3,3-dimethyl-1H-indole (9) and 2-[(1-hydroxy-2-methyl)-2-propyl]-aniline (10).

  DOI：

  10.1007/bf00807163

文献信息

• [EN] SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION<br/>[FR] INHIBITEURS PROLINE SUBSTITUÉE DE RÉPLICATION DU VIRUS DE L'HÉPATITE C
  申请人：INTERMUNE INC

  公开号：WO2012040242A1

  公开（公告）日：2012-03-29

  The embodiments provide compounds of the general Formulae I, la, II,IIa,III, IIIa, Illb, IV, IVa, IVb, V, Va, Vb, VI, VIa, VIb, and VIc, as well as compositions, including pharmaceutical compositions, comprising a subject compound. The embodiments further provide treatment methods, including methods of treating a hepatitis C virus infection and methods of treating liver fibrosis, the methods generally involving administering to an individual in need thereof an effective amount of a subject compound or composition. The embodiments also provide methods for the synthesis of subject compounds and intermediates in the synthetic methods.

  该实施例提供了一般式I、Ia、II、IIa、III、IIIa、IIIb、IV、IVa、IVb、V、Va、Vb、VI、VIa、VIb和VIc的化合物，以及包括药物化合物的组合物，包括制药组合物。该实施例还提供了治疗方法，包括治疗丙型肝炎病毒感染和治疗肝纤维化的方法，这些方法通常涉及向需要的个体施用所述化合物或组合物的有效量。该实施例还提供了用于合成所述化合物和合成方法中间体的方法。
• Photochemical transformations. Part XXVIII. Aryl azides as potential photosensitive protecting groups
  作者：D. H. R. Barton、P. G. Sammes、G. G. Weingarten

  DOI：10.1039/j39710000721

  日期：——

  The potential of certain aromatic azides as photosensitive protecting groups has been explored. With alkyl or acyl derivatives of β-(o-azidophenyl)ethyl alcohol photolysis yields indole and the corresponding alcohol or acid. Whereas o-azidobenzyl benzoate is photolysed in protic solvents to give polymers and little of the free acid, derivatives of 5-azido-4-hydroxymethyl-1-methoxynaphthalene are more

  已经探索了某些芳族叠氮化物作为光敏保护基的潜力。用β-（邻叠氮基苯基）乙醇的烷基或酰基衍生物光解产生吲哚和相应的醇或酸。而ø -azidobenzyl苯甲酸酯光解在质子溶剂，得到的聚合物和小游离酸的衍生物，5-叠氮基-4-羟基甲基-1-甲氧基萘更有效地与受保护基团的释放光解。
• 3-substituted para-aminophenols
  申请人：L'Oreal

  公开号：US05703266A1

  公开（公告）日：1997-12-30

  The invention concerns the use of a 3-substituted para-aminophenol as an oxidation dye precursor for dyeing keratinous fibres, in particular human hair. The 3-substituted para-aminophenol has formula: ##STR1## where R.sub.1 represents alkyl, alkenyl, mono- or polyhydroxyalkyl, nitrile, cyanoalkyl, halogenoalkyl, aminoalkyl or alkoxyalkyl and R.sub.2 represents hydrogen, alkyl or mono- or polyhydroxyalkyl, provided that when R.sub.2 is hydrogen R.sub.1 is not methyl or trifluoromethyl, and to addition salts thereof with an acid. The invention also concerns dye compositions containing compound (I). The invention further concerns novel 3-substituted para-aminophenols.

  该发明涉及将3-取代对氨基酚用作染色角质纤维的氧化染料前体，特别是人类头发。3-取代对氨基酚的化学式为：其中R.sub.1代表烷基、烯基、单或多羟基烷基、腈、氰基烷基、卤代烷基、氨基烷基或烷氧基烷基，R.sub.2代表氢、烷基或单或多羟基烷基，前提是当R.sub.2为氢时，R.sub.1不是甲基或三氟甲基，并且与酸的盐也包括在内。该发明还涉及含有化合物(I)的染料组合物。该发明还涉及新型的3-取代对氨基酚。
• Iridium-Catalyzed Regioselective Silylation of Aromatic and Benzylic CH Bonds Directed by a Secondary Amine
  作者：Qian Li、Matthias Driess、John F. Hartwig

  DOI：10.1002/anie.201404620

  日期：2014.8.4

  Reported herein is an iridium‐catalyzed, regioselective silylation of the aromatic CH bonds of benzylamines and the benzylic CH bonds of 2,N‐dialkylanilines. In this process, (hydrido)silyl amines, generated in situ by dehydrogenative coupling of benzylamine or aniline with diethylsilane, undergo selective silylation at the CH bond γ to the amino group. The products of this silylation are suitable for

  本文报道的是铱催化的苄胺芳族CH键和2 N-二烷基苯胺的苄基CH键的区域选择性甲硅烷基化反应。在该方法中，通过苄胺或苯胺与二乙基硅烷的脱氢偶联原位生成的（氢化）甲硅烷基胺在氨基的CH键γ处进行选择性甲硅烷基化。这种甲硅烷基化的产物适用于随后的氧化，卤化和交叉偶联反应，以递送苄胺和芳胺衍生物。
• [EN] SYNTHESIS OF BORONATE SALTS AND USES THEREOF<br/>[FR] SYNTHÈSE DE SELS BORONATE ET UTILISATIONS DE CEUX-CI
  申请人：REMPEX PHARMACEUTICALS INC

  公开号：WO2015171430A1

  公开（公告）日：2015-11-12

  Disclosed herein are boronate intermediates in the synthesis of antimicrobial compounds and the use and preparation thereof. Some embodiments relate to crystalline boronate salt derivatives and their use in the synthesis of therapeutic compounds.

  本文披露了在合成抗微生物化合物过程中的硼酸酯中间体及其使用和制备。一些实施例涉及结晶硼酸盐衍生物及其在合成治疗化合物中的使用。