tert-butyl 4-(5-fluoro-2-nitrophenyl)piperazine-1-carboxylate | 475279-74-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: tert-butyl 4-(5-fluoro-2-nitrophenyl)piperazine-1-carboxylate
• CAS: 475279-74-4
• 化学式: C₁₅H₂₀FN₃O₄
• 分子量: 325.34
• InChiKey: LWTSKKBORQCEFR-UHFFFAOYSA-N

物化性质

• 沸点：
  448.6±45.0 °C(Predicted)
• 密度：
  1.270±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  78.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  tert-butyl 4-(5-fluoro-2-nitrophenyl)piperazine-1-carboxylate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 1-(5-Fluoro-2-nitrophenyl)piperazine
  参考文献：
  名称：

  [EN] QUINAZOLINONE DERIVATIVES AS AND RELATED USES
  [FR] DÉRIVÉS DE QUINAZOLINONE ET UTILISATIONS ASSOCIÉES

  摘要：

  The present disclosure relates to compounds of Formula (I) and to their prodrugs, pharmaceutically acceptable salts, pharmaceutical compositions, methods of use, and methods for their preparation. The compounds disclosed herein are useful for modulating PI3Kα activity and may be used in the treatment of diseases or disorders in which PI3Kα activity is implicated, such as cancer.

  公开号：

  WO2024026424A1
• 作为产物：
  描述：

  2,4-二氟硝基苯 、 N-Boc-哌嗪 在 potassium carbonate 作用下， 以 1,4-二氧六环 为溶剂， 反应 120.0h， 以98%的产率得到tert-butyl 4-(5-fluoro-2-nitrophenyl)piperazine-1-carboxylate
  参考文献：
  名称：

  溶剂氢键碱性对缺电子多氟芳烃的S N Ar反应区域化学的戏剧性影响

  摘要：

  发现溶剂氢键碱性（SHBB）显着影响仲胺和活化的多氟芳烃之间的S N Ar反应的区域化学。涉及六元过渡态的合理机制被用于形成邻位取代的异构体，该异构体很可能是由氢键组成的。提供了该假设的证据，并且已经开发了活化的多氟芳烃的区域选择性胺化反应。

  DOI：

  10.1021/ol902353t

文献信息

• New compounds
  申请人：——

  公开号：US20030149019A1

  公开（公告）日：2003-08-07

  The present invention relates to substituted bis-arylsulfonamide and arylsulfonamide compounds of the general formula (I) or the formula (II), which compounds are potentially useful for the prophylaxis and treatment of medical conditions relating to obesity, type II diabetes and/or disorders of the central nervous system. 1

  本发明涉及通式(I)或通式(II)的取代双芳基磺酰胺和芳基磺酰胺化合物，这些化合物可能对预防和治疗与肥胖、2型糖尿病和/或中枢神经系统紊乱相关的医疗状况有用。
• [EN] PIPERAZIN DERIVATIVES AND THEIR USE IN CONTROLLING PESTS<br/>[FR] DÉRIVÉS DE PIPÉRAZINE ET LEUR UTILISATION DANS LA LUTTE CONTRE LES ORGANISMES NUISIBLES
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2005115146A1

  公开（公告）日：2005-12-08

  The use of a compound of formula (I) wherein Y is a single bond, C=O, C=S or S(O)m where m is 0, 1 or 2; the ring is a 6-membered aromatic or is a 5 or 6 membered heteroaromatic ring; Ra, R1 , R2 , R4 and R8 are specified organic groups; n and p are independently 0-4; or salts or N-oxides thereof or compositions containing them in controlling insects, acarines, nematodes or molluscs. Novel compounds are also provided.

  在控制昆虫、螨虫、线虫或软体动物方面，使用具有式（I）的化合物，其中Y是单键，C=O，C=S或S(O)m，其中m为0、1或2；环是6-成员芳香环或是5或6-成员杂芳环；Ra、R1、R2、R4和R8是指定的有机基团；n和p独立地为0-4；或其盐或N-氧化物或含有它们的组合物。还提供了新的化合物。
• 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。
• [Bmim]PF6 and BF4 ionic liquids as novel and recyclable reaction media for aromatic amination
  作者：J.S. Yadav、B.V.S. Reddy、A.K. Basak、A. Venkat Narsaiah

  DOI：10.1016/s0040-4039(03)00037-6

  日期：2003.3

  Activated aryl halides undergo smooth nucleophilic substitution reactions with secondary amines in 1-butyl-3-methylimidazolium hexafluorophosphate ([bmim]PF6) or 1-butyl-3-methylimidazolium tetrafluoroborate ([bmim]BF4) ionic liquids (ILs) at room temperature to afford the corresponding arylamines in excellent yields under mild and neutral conditions.

  活化的芳基卤化物在室温下与仲胺在六氟磷酸1-丁基-3-甲基咪唑鎓（[bmim] PF 6）或1-丁基-3-甲基咪唑四氟硼酸酯（[bmim] BF 4）离子液体（ILs）中进行平滑的亲核取代反应。在温和的中性条件下，以优异的收率得到相应的芳基胺。
• Substituted arylamine compounds and methods of treatment
  申请人：Becker Oren

  公开号：US20060205737A1

  公开（公告）日：2006-09-14

  The invention relates to 5-HT 6 receptor antagonists. Novel arylamine compounds and use of these compounds and their pharmaceutical compositions, e.g., in the treatment, modulation and/or prevention of physiological conditions associated with serotonin action, such as in treating obesity, and obesity-related disorders, e.g., cardiovascular disease, digestive disease, respiratory disease, cancer and type II diabetes; and psychological disorders such as schizophrenia, are disclosed.

  本发明涉及5-HT6受体拮抗剂。揭示了新型芳胺化合物及其在治疗、调节和/或预防与血清素作用相关的生理状况中的应用，例如在治疗肥胖症和肥胖相关疾病（例如心血管疾病、消化系统疾病、呼吸系统疾病、癌症和2型糖尿病）以及精神障碍（如精神分裂症）中的应用。此外，还揭示了这些化合物及其制药组合物的用途。