2-氨基-3,5-二氯苯甲酸甲酯 | 52727-62-5

• 物质功能分类: 化学试剂 - 有机试剂 - 酯类
• 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: 2-氨基-3,5-二氯苯甲酸甲酯
• 中文别名: 2-氨基-3,5-二氯苯甲酯
• 英文名称: 3,5-dichloro-2-aminobenzoic acid methyl ester
• 英文别名: 2-amino-3,5-dichlorobenzoic acid methyl ester；methyl 3,5-dichloroanthranilate；2-amino-3,5-dichloro-benzoic acid methyl ester；2-Amino-3,5-dichlor-benzoesaeure-methylester；3.5-Dichlor-anthranilsaeure-methylester；3,5-dichloro-anthranilic acid methyl ester；Methyl 2-amino-3,5-dichlorobenzoate
• CAS: 52727-62-5
• 化学式: C₈H₇Cl₂NO₂
• mdl: MFCD07439809
• 分子量: 220.055
• InChiKey: FODZNORQIATQIP-UHFFFAOYSA-N

物化性质

• 熔点：
  63-64 °C
• 沸点：
  315.8±37.0 °C(Predicted)
• 密度：
  1.433±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2922499990

反应信息

• 作为反应物：
  描述：

  2-氨基-3,5-二氯苯甲酸甲酯 在 palladium on activated charcoal 甲烷磺酸 、 甲酸:三乙胺 1:1 作用下， 以 乙腈 为溶剂， 反应 24.0h， 生成 2-Chloro-6-carbomethoxydiacetanilide
  参考文献：
  名称：

  Synthesis of 2,6-disubstituted and 2,3,6-trisubstituted anilines

  摘要：

  A number of 2,6-disubstituted and 2,3,6-trisubstituted anilines have been prepared via the selective para dehalogenation of the corresponding anilines. Modification of the substituents on the amino nitrogen demonstrates that the selectivity is derived from steric rather than electronic effects. The effects of the choice of formate hydrogen donor, Pd catalyst, solvent, and temperature upon the efficiency and selectivity of the dehalogenation are discussed.

  DOI：

  10.1016/s0040-4020(01)80400-2
• 作为产物：
  描述：

  邻氨基苯甲酸甲酯 在 盐酸 、 双氧水 作用下， 以 氯仿 、 水 为溶剂， 以95.4 %的产率得到2-氨基-3,5-二氯苯甲酸甲酯
  参考文献：
  名称：

  一种2-氨基-3,5-二氯-N-甲基苯甲酰胺的制备方法

  摘要：

  本发明涉及有机合成领域，具体而言，涉及一种2‑氨基‑3,5‑二氯‑N‑甲基苯甲酰胺的制备方法。邻氨基苯甲酸甲酯与氯化剂进行氯化反应生成式(II)所示化合物2‑氨基‑3,5‑二氯苯甲酸甲酯；式(II)所示化合物2‑氨基‑3,5‑二氯苯甲酸甲酯在与胺化剂进行胺化反应，获得式(III)所示的2‑胺基‑3,5‑氯‑N‑甲基苯甲酰胺。采用上述制备方法有利于提高制备2‑氨基‑3,5‑二氯‑N‑甲基苯甲酰胺的收率，并降低工艺成本。

  公开号：

  CN117466762A

文献信息

• METHOD FOR PRODUCING NITROBENZENE COMPOUND
  申请人：Tani Shinki

  公开号：US20140163256A1

  公开（公告）日：2014-06-12

  A method for producing a nitrobenzene compound represented by general formula (2), wherein R 1 and R 5 are the same or different, and each is a halogen atom or another functional group, and R 2 , R 3 , and R 4 are the same or different, and each is a hydrogen atom or another functional group, comprises oxidizing an aniline compound represented by general formula (1), wherein R 1 , R 2 , R 3 , R 4 , and R 5 are the same as described above, with hydrogen peroxide in the presence of a tungsten compound under an acidic condition, followed by oxidation with hydrogen peroxide under a neutral to alkaline condition.

  一种用于制备由通式（2）表示的硝基苯化合物的方法，其中R1和R5相同或不同，每个是卤素原子或另一个官能团，而R2、R3和R4相同或不同，每个是氢原子或另一个官能团，包括在酸性条件下在钨化合物存在下用过氧化氢氧化由通式（1）表示的苯胺化合物，其中R1、R2、R3、R4和R5与上述相同，随后在中性至碱性条件下用过氧化氢氧化。
• POLYSUBSTITUTED PYRIDYL PYRAZOLECARBOXAMIDE AND PREPARATION METHOD AND USE THEREOF
  申请人：ZHAOQING ZHENGE BIOLOGICAL TECHNOLOGY CO., LTD

  公开号：US20150322037A1

  公开（公告）日：2015-11-12

  The present invention discloses a polysubstituted pyridyl pyrazolecarboxamide and its preparation method and use. The structure of the polysubstituted pyridyl pyrazolecarboxamide of the present invention is shown in the following General Formula I. The polysubstituted pyridyl pyrazolecarboxamide has the following advantages such as good insecticidal effect, low production cost; and it may be used in control of agriculture, forest or health pests, especially of resistant pests. For its preparation method, the yield is high, the number of steps is small, and the operation is simple.

  本发明公开了一种多取代吡啶基吡唑甲酰胺及其制备方法和用途。本发明的多取代吡啶基吡唑甲酰胺的结构如下所示的一般式I。该多取代吡啶基吡唑甲酰胺具有良好的杀虫效果、低生产成本等优点；可用于农业、林业或卫生害虫的控制，特别是对抗性害虫。其制备方法产率高，步骤少，操作简单。
• Process for the selective reduction of the 4-halogen in
  申请人：Dow Elanco

  公开号：US05089653A1

  公开（公告）日：1992-02-18

  Substituted 2-haloanilines are prepared from the correspondingly substituted 2,4-dichloro- or 2,4-dibromoanilines by selectively reducing a chloro or bromo substituent para to a protected amino group in the presence of the same halogen as an ortho substituent. The selective reductions are accomplished by protecting the amino function of the aniline with two protecting groups, e.g., as the diacetanilide or the succinimide.

  从相应取代的2,4-二氯苯胺或2,4-二溴苯胺中，通过在同一卤素存在的情况下选择性还原对位于保护氨基团的氯或溴取代基，制备取代的2-卤苯胺。通过使用两种保护基（例如二乙酰苯胺或琥珀酰亚胺）保护苯胺的氨基功能，实现了选择性还原。
• Optimization of a binding fragment targeting the “enlarged methionine pocket” leads to potent Trypanosoma brucei methionyl-tRNA synthetase inhibitors
  作者：Wenlin Huang、Zhongsheng Zhang、Ranae M. Ranade、J. Robert Gillespie、Ximena Barros-Álvarez、Sharon A. Creason、Sayaka Shibata、Christophe L.M.J. Verlinde、Wim G.J. Hol、Frederick S. Buckner、Erkang Fan

  DOI：10.1016/j.bmcl.2017.04.048

  日期：2017.6

  Potent inhibitors of Trypanosoma brucei methionyl-tRNA synthetase were previously designed using a structure-guided approach. Compounds 1 and 2 were the most active compounds in the cyclic and linear linker series, respectively. To further improve cellular potency, SAR investigation of a binding fragment targeting the "enlarged methionine pocket" (EMP) was performed. The optimization led to the identification

  以前使用结构指导方法设计了布鲁氏锥虫蛋氨酸-tRNA合成酶的有效抑制剂。化合物1和2分别是环状和线性接头系列中活性最高的化合物。为了进一步提高细胞效力，对靶向“蛋氨酸袋增大”（EMP）的结合片段进行了SAR研究。优化导致鉴定出6,8-二氯-四氢喹啉环为结合EMP的有利片段。使用该四氢喹啉片段替换抑制剂2的3,5-二氯苄基（EMP结合片段）得到的化合物13的EC50为4nM。
• Dioxazine-and Oxadiazine-Substitude Arylamide
  申请人：Kruger Bernd-Wieland

  公开号：US20090143228A1

  公开（公告）日：2009-06-04

  Novel dioxazine- and oxdiazine-substituted arylamides of the formula (I) in which A 1 , A 2 , R 1 , R 2 , R 3 , R 4 and R 5 are as defined in the description, a plurality of processes for preparing these compounds and their use for controlling pests, and also novel intermediates and processes for their preparation.

  本发明涉及一种公式（I）的新型二氧噻嗪和氧二嗪取代芳基酰胺，其中A1，A2，R1，R2，R3，R4和R5如描述中所定义，以及用于控制害虫的多种制备这些化合物的方法，还包括新的中间体和制备它们的方法。