2-iodo-5-methoxy-4-t-butyl-toluene | 113137-99-8

• 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: 2-iodo-5-methoxy-4-t-butyl-toluene
• 英文别名: 2-iodo-5-methoxy-4-tert-butyltoluene；1-(tert-butyl)-5-iodo-2-methoxy-4-methylbenzene；1-Tert-butyl-5-iodo-2-methoxy-4-methylbenzene
• CAS: 113137-99-8
• 化学式: C₁₂H₁₇IO
• 分子量: 304.171
• InChiKey: HNCJIQDFCBKHPL-UHFFFAOYSA-N

物化性质

• 熔点：
  104 °C(Solv: ethyl ether (60-29-7))
• 沸点：
  315.7±42.0 °C(Predicted)
• 密度：
  1.392±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  14
• 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：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-iodo-5-methoxy-4-t-butyl-toluene 在 N-溴代丁二酰亚胺(NBS) 、 过氧化氢苯甲酰 、 溴 、 potassium acetate 、 吡啶盐酸盐 、 铜 、 magnesium 、 1,2-二溴乙烷 作用下， 以 四氢呋喃 、 四氯化碳 为溶剂， 反应 7.75h， 生成 3,6-di-tert-butylphenantrene-2,7-diol
  参考文献：
  名称：

  On the synthesis of a phenanthrene-2,7-quinone

  摘要：

  Oxidative coupling of 2,2',4,4'-tetramethoxystilbene-3,3'-diol 51 gave a 51% yield of 1,3,6,8-tetramethoxyphenanthrene-2,7-quinone 52, the first isolated example of a quinone of this type. Similar oxidation of the corresponding diphenylethane 55 gave the 9,10-dihydrophenanthrene-2,7-quinone 56. Attempts to synthesize the tetramethoxyphenanthrene-2,7-diol 25 from a 2,2'-bis(hydroxymethyl)hexamethoxybiphenyl precursor 28 were thwarted by the ease of intramolecular cyclization to 2,3,4,8,9,10-hexamethoxydibenz[c,e]oxepine 32. Selective demethylation of the 3- and 9-methoxy groups of this compound, and oxidation of the resulting diol 58 gave the dibenzoxepine quinone 59.The synthesis of 3,6-di-tert-butylphenanthrene-2,7-diol 3 is also described, but this could not be oxidized to the quinone. However, the preparation of 3,6-di-tert-butyl-9,10-dihydrophenanthrene-2,7-quinone 12 was successful.

  DOI：

  10.1039/p19910003033
• 作为产物：
  描述：

  间甲基苯甲醚 在 硫酸 、 碘 、 过碘酸 作用下， 以 硫酸 、 水 、 溶剂黄146 为溶剂， 反应 21.0h， 生成 2-iodo-5-methoxy-4-t-butyl-toluene
  参考文献：
  名称：

  Cornforth, Sir John; Huguein, Lynn M.; Wilson, John R. H., Journal of the Chemical Society. Perkin transactions I, 1987, p. 871 - 876

  摘要：

  DOI：

文献信息

• [EN] COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS AND USES THEREOF IN MEDICINE<br/>[FR] COMPOSÉS EN TANT QU'INHIBITEURS DU VIRUS DE L'HÉPATITE C (VHC) ET LEURS UTILISATIONS EN MÉDECINE
  申请人：SUNSHINE LAKE PHARMA CO LTD

  公开号：WO2015197028A1

  公开（公告）日：2015-12-30

  Provided herein are compounds of Formula (I), or a stereoisomer, a geometric isomer, an enantiomer, a tautomer, an N-oxide, a hydrate, a solvate, a metabolite, a pharmaceutically acceptable salt or a prodrug thereof, which are used in the treatment of HCV infection or hepatitis C. Provided herein also are pharmaceutical compositions containing such compounds and methods of using the compound of the present invention or pharmaceutical compositions thereof to treat HCV infection or hepatitis C.

  本文提供了式（I）的化合物，或其立体异构体、几何异构体、对映体、互变异构体、N-氧化物、水合物、溶剂合物、代谢物、药学上可接受的盐或其前药，用于治疗HCV感染或丙型肝炎。本文还提供了含有这些化合物的药物组合物以及使用本发明的化合物或其药物组合物治疗HCV感染或丙型肝炎的方法。
• CORNFORTH J.; HUGUENIN L. M.; WILSON J. R. H., J. CHEM. SOC. PERKIN TRANS., 1,(1987) N 4, 871-875
  作者：CORNFORTH J.、 HUGUENIN L. M.、 WILSON J. R. H.

  DOI：——

  日期：——
• On the synthesis of a phenanthrene-2,7-quinone
  作者：Frank R. Hewgill、Riskiono Slamet、Jeffery M. Stewart

  DOI：10.1039/p19910003033

  日期：——

  Oxidative coupling of 2,2',4,4'-tetramethoxystilbene-3,3'-diol 51 gave a 51% yield of 1,3,6,8-tetramethoxyphenanthrene-2,7-quinone 52, the first isolated example of a quinone of this type. Similar oxidation of the corresponding diphenylethane 55 gave the 9,10-dihydrophenanthrene-2,7-quinone 56. Attempts to synthesize the tetramethoxyphenanthrene-2,7-diol 25 from a 2,2'-bis(hydroxymethyl)hexamethoxybiphenyl precursor 28 were thwarted by the ease of intramolecular cyclization to 2,3,4,8,9,10-hexamethoxydibenz[c,e]oxepine 32. Selective demethylation of the 3- and 9-methoxy groups of this compound, and oxidation of the resulting diol 58 gave the dibenzoxepine quinone 59.The synthesis of 3,6-di-tert-butylphenanthrene-2,7-diol 3 is also described, but this could not be oxidized to the quinone. However, the preparation of 3,6-di-tert-butyl-9,10-dihydrophenanthrene-2,7-quinone 12 was successful.
• Cornforth, Sir John; Huguein, Lynn M.; Wilson, John R. H., Journal of the Chemical Society. Perkin transactions I, 1987, p. 871 - 876
  作者：Cornforth, Sir John、Huguein, Lynn M.、Wilson, John R. H.

  DOI：——

  日期：——