1-(4-chloro-2-nitro-anilino)-2-methyl-propan-2-ol

• 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-(4-chloro-2-nitro-anilino)-2-methyl-propan-2-ol
• 英文别名: 1-(4-Chlor-2-nitro-anilino)-2-methy-propanol-(2)；1-(4-Chlor-2-nitro-anilino)-2-methyl-propan-2-ol；1-(4-Chloro-2-nitroanilino)-2-methylpropan-2-ol
• 化学式: C₁₀H₁₃ClN₂O₃
• 分子量: 244.678
• InChiKey: PGFDRAOHEXLNJZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  78.1
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(4-chloro-2-nitro-anilino)-2-methyl-propan-2-ol 在 二叔丁基过氧化物 、 氢气 、 对甲苯磺酸 、 copper(l) chloride 作用下， 以 乙醇 、 甲苯 为溶剂， 反应 12.0h， 生成 7-chloro-2,2-dimethyl-2,3-dihydrobenzo[4,5]imidazo[2,1-b]oxazole
  参考文献：
  名称：

  Copper-Catalyzed C–H Alkoxylation of Azoles

  摘要：

  We achieved copper-catalyzed intramolecular and intermolecular alkoxylation of azoles. This reaction is a rare example of transition-metal-catalyzed C-H alkoxylation of heteroaromatic compounds. In addition, the alkoxylation reaction proceeded well even In gram scale. In most intermolecular alkoxylations, the use of an excess amount of alcohols (in some cases, alcohols are used as a solvent) is indispensable to efficiently promote the alkoxylation reaction, but this alkoxylation reaction proceeded using only 1 equiv of alcohols.

  DOI：

  10.1021/ol303533z
• 作为产物：
  描述：

  1-氨基-2-甲基-2-丙醇 、 2,5-二氯硝基苯 在 正丁醇 作用下， 生成 1-(4-chloro-2-nitro-anilino)-2-methyl-propan-2-ol
  参考文献：
  名称：

  Intermediates of Pentryl Analogs. Chloronitroanilino Alkanols¹

  摘要：

  DOI：

  10.1021/ja01258a013

文献信息

• Benzimidazole compounds and derivatives as EGFR inhibitors
  申请人：Boehringer Ingelheim International GmbH

  公开号：US11174245B2

  公开（公告）日：2021-11-16

  The present invention encompasses compounds of formula (I) (I), wherein the groups R1 to R5 have the meanings given in the claims and specification, their use as inhibitors of mutant EGFR, pharmaceutical compositions which contain compounds of this kind and their use as medicaments/medical uses, especially as agents for treatment and/or prevention of oncological diseases.

  本发明包括式(I)(I)化合物（其中基团R1至R5具有权利要求书和说明书中给出的含义）、它们作为突变型表皮生长因子受体抑制剂的用途、含有此类化合物的药物组合物以及它们作为药物/医疗用途的用途，特别是作为治疗和/或预防肿瘤疾病的制剂的用途。
• NEW BENZIMIDAZOLE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS
  申请人：Boehringer Ingelheim International GmbH

  公开号：US20200377476A1

  公开（公告）日：2020-12-03

  The present invention encompasses compounds of formula (I) (I), wherein the groups R 1 to R 5 have the meanings given in the claims and specification, their use as inhibitors of mutant EGFR, pharmaceutical compositions which contain compounds of this kind and their use as medicaments/medical uses, especially as agents for treatment and/or prevention of oncological diseases.
• Intermediates of Pentryl Analogs. Chloronitroanilino Alkanols¹
  作者：Chester B. Kremer、M. Meltsner

  DOI：10.1021/ja01258a013

  日期：1942.6
• Copper-Catalyzed C–H Alkoxylation of Azoles
  作者：Noriaki Takemura、Yoichiro Kuninobu、Motomu Kanai

  DOI：10.1021/ol303533z

  日期：2013.2.15

  We achieved copper-catalyzed intramolecular and intermolecular alkoxylation of azoles. This reaction is a rare example of transition-metal-catalyzed C-H alkoxylation of heteroaromatic compounds. In addition, the alkoxylation reaction proceeded well even In gram scale. In most intermolecular alkoxylations, the use of an excess amount of alcohols (in some cases, alcohols are used as a solvent) is indispensable to efficiently promote the alkoxylation reaction, but this alkoxylation reaction proceeded using only 1 equiv of alcohols.