4-chloro-1-nitro-2-phenoxybenzene | 56966-63-3

• 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: 4-chloro-1-nitro-2-phenoxybenzene
• 英文别名: 4-chloro-2-phenoxynitrobenzene；(5-chloro-2-nitro-phenyl)-phenyl ether；(5-Chlor-2-nitro-phenyl)-phenyl-aether；5-Chlor-2-nitro-diphenylaether；5-chloro-2-nitrodiphenyl ether；5-Chlor-2-nitro-diphenylether
• CAS: 56966-63-3
• 化学式: C₁₂H₈ClNO₃
• 分子量: 249.653
• InChiKey: FLOSSOFFHITZOU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 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：

  4-chloro-1-nitro-2-phenoxybenzene 在 PPA 、 铁粉 、 溶剂黄146 、 三氯氧磷 作用下， 生成 7-氯二苯并(B，F)(1,4)氧氮杂
  参考文献：
  名称：

  Wardrop,A.W.H. et al., Journal of the Chemical Society. Perkin transactions I, 1976, p. 1279 - 1285

  摘要：

  DOI：
• 作为产物：
  描述：

  1,3-二氯苯 在 水 、 苯酚 作用下， 生成 4-chloro-1-nitro-2-phenoxybenzene
  参考文献：
  名称：

  Roberts; Turner, Journal of the Chemical Society, 1925, vol. 127, p. 2011

  摘要：

  DOI：

文献信息

• [EN] SUBSTITUTED ACIDS FOR THE TREATMENT OF RESPIRATORY DISEASES<br/>[FR] ACIDES SUBSTITUES POUR LE TRAITEMENT DE MALADIES RESPIRATOIRES
  申请人：ASTRAZENECA AB

  公开号：WO2006005909A1

  公开（公告）日：2006-01-19

  The invention relates to substituted acids of formula (I), where T,W,X,Y,Z,R1 and R2 as defined in the claims, as useful pharmaceutical compounds for treating asthma and rhinitis, pharmaceutical compositions containing them, and a processes for their preparation.

  该发明涉及公式（I）中T、W、X、Y、Z、R1和R2如权利要求中定义的取代酸，作为治疗哮喘和鼻炎的有用药物化合物，包含它们的药物组合物，以及它们的制备方法。
• Ortho-selectivity in SNAr substitutions of 2,4-dihaloaromatic compounds. Reactions with anionic nucleophiles
  作者：Michael D. Wendt、Aaron R. Kunzer

  DOI：10.1016/j.tetlet.2010.03.124

  日期：2010.6

  in a variety of solvents. Substrates showed strong preferences for ortho substitution in most cases. Evidence is presented for activating group-dependent coordination, which contributes to very high ortho-selectivity in nonpolar solvents. This also drives the overall reaction rate in these solvents, and is of close to the same magnitude of rate increase derived from polar solvents. para-Products are

  亲核加成的有机阴离子与卤素的芳族化合物既定位邻位和对位，以活化基团在各种溶剂中进行了研究。在大多数情况下，基材显示出对邻位取代的强烈偏好。提出了激活依赖于基团的配位的证据，这有助于在非极性溶剂中非常高的邻位选择性。这也驱动了这些溶剂中的总反应速率，并且与极性溶剂产生的速率增加幅度几乎相同。帕拉-通过在质子传递溶剂中使用冠醚可最大程度地提高产品的性能。总体而言，溶剂作用与与胺类亲核试剂的相应反应有很大不同，这主要是由于过渡态中存在的电荷不同以及亲核试剂的溶剂化所致。
• N2,N4-BIS(4-(PIPERAZINE-1-YL)PHENYL)PIRIMIDINE-2,4-DIAMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING CANCER
  申请人：KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

  公开号：US20150152069A1

  公开（公告）日：2015-06-04

  Disclosed herein are a new N2,N4-bis(4-(piperazin-1-yl)phenyl)pyrimidin-2,4-diamine derivative or a pharmaceutically acceptable salt thereof and a pharmaceutical composition for the prevention or treatment of cancers containing the same as an active ingredient. The compound of the present invention has excellent inhibitory effects against the activities of anaplastic lymphoma kinase (ALK) and activated cdc42-associated kinase (ACK1) and thus can improve the therapeutic effects on the treatment of cancer cells having anaplastic lymphoma kinase fusion proteins such as EML4-ALK and NPM-ALK, and also effectively prevent the recurrence of cancers thus being useful as a pharmaceutical composition for the prevention and treatment of cancers.

  本文披露了一种新的N2,N4-双(4-(哌嗪-1-基)苯基)嘧啶-2,4-二胺衍生物或其药用可接受的盐，以及一种包含该衍生物作为活性成分的用于预防或治疗癌症的药物组合物。本发明的化合物对间变性淋巴瘤激酶（ALK）和活化cdc42相关激酶（ACK1）的活性具有出色的抑制作用，从而可以改善对具有间变性淋巴瘤激酶融合蛋白（如EML4-ALK和NPM-ALK）的癌细胞的治疗效果，并有效预防癌症的复发，因此可作为一种用于预防和治疗癌症的药物组合物而具有实用性。
• Method for ether formation
  申请人：Occidental Chemical Corporation

  公开号：US05185471A1

  公开（公告）日：1993-02-09

  A process for the preparation of 1,1'-oxy-bis(3-trifluoromethyl-4-nitrobenzene) which comprises reacting a compound of the formula ##STR1## where X is F, Cl, Br or I; with an inorganic base selected from the group consisting of alkali metal hydroxides, alkali metal carbonates, and alkali metal bicarbonates, in the presence of a catalytic quantity of a benzoate catalyst. In addition, benzoate esters of 4-nitro-3-trifluoromethylphenol may be isolated.

  制备1,1'-氧化物-双(3-三氟甲基-4-硝基苯)的方法，包括将式为##STR1##的化合物与选自碱金属氢氧化物、碱金属碳酸盐和碱金属氢碳酸盐的无机碱在苯甲酸催化剂的催化下反应。此外，可以分离出4-硝基-3-三氟甲基苯甲酸酯。
• N2,N4-bis(4-(piperazine-1-yl)phenyl)pirimidine-2,4-diamine derivative or pharmaceutically acceptable salt thereof, and composition containing same as active ingredient for preventing or treating cancer
  申请人：KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

  公开号：US09199944B2

  公开（公告）日：2015-12-01

  Disclosed herein are a new N2,N4-bis(4-(piperazin-1-yl)phenyl)pyrimidin-2,4-diamine derivative or a pharmaceutically acceptable salt thereof and a pharmaceutical composition for the prevention or treatment of cancers containing the same as an active ingredient. The compound of the present invention has excellent inhibitory effects against the activities of anaplastic lymphoma kinase (ALK) and activated cdc42-associated kinase (ACK1) and thus can improve the therapeutic effects on the treatment of cancer cells having anaplastic lymphoma kinase fusion proteins such as EML4-ALK and NPM-ALK, and also effectively prevent the recurrence of cancers thus being useful as a pharmaceutical composition for the prevention and treatment of cancers.

  本发明涉及一种新的N2，N4-双（4-（哌嗪-1-基）苯基）嘧啶-2,4-二胺衍生物或其药学上可接受的盐以及包含其作为活性成分的预防或治疗癌症的制药组合物。本发明的化合物对间变性淋巴瘤激酶（ALK）和激活的cdc42相关激酶（ACK1）的活性具有优异的抑制作用，因此可以提高治疗具有间变性淋巴瘤激酶融合蛋白（如EML4-ALK和NPM-ALK）的癌细胞的治疗效果，并有效地预防癌症的复发，因此是一种用于预防和治疗癌症的制药组合物。