methyl 2,4-dichloro-5-fluoro-3-nitrobenzoate | 1153285-12-1

• 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: methyl 2,4-dichloro-5-fluoro-3-nitrobenzoate
• CAS: 1153285-12-1
• 化学式: C₈H₄Cl₂FNO₄
• 分子量: 268.028
• InChiKey: GKKAHKJEHVCUKO-UHFFFAOYSA-N

物化性质

• 沸点：
  357.5±42.0 °C(Predicted)
• 密度：
  1.602±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl 2,4-dichloro-5-fluoro-3-nitrobenzoate 在 氢气 、 镍 作用下， 以 甲醇 为溶剂， 以80%的产率得到C₈H₆Cl₂FNO₂
  参考文献：
  名称：

  A novel approach to Finafloxacin hydrochloride (BAY35-3377)

  摘要：

  Finafloxacin hydrochloride, an important clinical compound was synthesized by a novel synthetic approach. An active intermediate ethyl 7-chloro-8-cyano-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylate 19 was prepared by a new route. The chiral (S,S')-N-Boc 10 was derived from protected pyrrolidine and the absolute stereochemistry was established by X-ray analysis. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.03.051
• 作为产物：
  描述：

  2,4-二氯-5-氟-3-硝基苯甲酸 以95的产率得到methyl 2,4-dichloro-5-fluoro-3-nitrobenzoate
  参考文献：
  名称：

  Tetrahedron Lett. 2009, 50, 2525-2528

  摘要：

  DOI：

文献信息

• Rhodium-Catalyzed Double Alkyl-Oxygen Bond Cleavage: An Alkyl Transfer Reaction from Bis/Tris(<i>o</i>-alkyloxyphenyl)phosphine to Aryl Acids
  作者：Hui Zhou、Jinlong Zhang、Huameng Yang、Chungu Xia、Gaoxi Jiang

  DOI：10.1021/acs.organomet.6b00638

  日期：2016.10.10

  An unprecedented rhodium-catalyzed selective cleavage of double alkyl-oxygen bonds of bis/tris(o-alkyloxyphenyl)phosphine has been realized, in which P atom functions as a. directing group and simple aryl acids are the methyl group acceptor to provide methyl esters and a quaternary phosphonium salt. The preliminary mechanism was investigated via an O-18 labeling experiment and stoichiometric reaction between a Rh-A crystal and an aromatic acid.
• Drugs Fut. 2009, 34, 451-457
  作者：

  DOI：——

  日期：——
• A novel approach to Finafloxacin hydrochloride (BAY35-3377)
  作者：Jian Hong、Zonghua Zhang、Huoxing Lei、Haiying Cheng、Yufang Hu、Wanliang Yang、Yinglin Liang、Debasis Das、Shu-Hui Chen、Ge Li

  DOI：10.1016/j.tetlet.2009.03.051

  日期：2009.5

  Finafloxacin hydrochloride, an important clinical compound was synthesized by a novel synthetic approach. An active intermediate ethyl 7-chloro-8-cyano-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylate 19 was prepared by a new route. The chiral (S,S')-N-Boc 10 was derived from protected pyrrolidine and the absolute stereochemistry was established by X-ray analysis. (C) 2009 Elsevier Ltd. All rights reserved.
• Tetrahedron Lett. 2009, 50, 2525-2528
  作者：

  DOI：——

  日期：——