1-溴-3-乙烯基-2-氟苯 | 871223-88-0

• 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: 1-溴-3-乙烯基-2-氟苯
• 英文名称: 1-bromo-2-fluoro-3-vinyl-benzene
• 英文别名: 3-Bromo-2-fluorostyrene；1-bromo-3-ethenyl-2-fluorobenzene
• CAS: 871223-88-0
• 化学式: C₈H₆BrF
• 分子量: 201.038
• InChiKey: MDTBTBYULZTAGE-UHFFFAOYSA-N

物化性质

• 沸点：
  208.8±28.0 °C(Predicted)
• 密度：
  1.480±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-溴-3-乙烯基-2-氟苯 、 N,N-二甲基乙酰胺 在 三氟甲磺酸酐 、 2,4,6-三甲基吡啶 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 19.5h， 以22.27%的产率得到3-(3-Bromo-2-fluorophenyl)cyclobutan-1-one
  参考文献：
  名称：

  WO2020112937A5

  摘要：

  公开号：

  WO2020112937A5
• 作为产物：
  描述：

  3-溴-2-氟苯甲醛 、 甲基三苯基碘化膦 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 反应 0.67h， 以61%的产率得到1-溴-3-乙烯基-2-氟苯
  参考文献：
  名称：

  [EN] PYRIMIDONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE
  [FR] DÉRIVÉS DE PYRIMIDONE ET LEUR UTILISATION DANS LE TRAITEMENT, LE SOULAGEMENT OU LA PRÉVENTION D'UNE MALADIE VIRALE

  摘要：

  本发明涉及具有通式（I）的化合物，可选地为药学上可接受的盐、溶剂合物、多晶形、共药、共晶体、前药、互变异构体、消旋体、对映体或二对映体或其混合物，用于治疗、改善或预防病毒性疾病，特别是流感。

  公开号：

  WO2017158151A1

文献信息

• Metal-free, intermolecular carbopyridylation of alkenes <i>via</i> visible-light-induced reductive radical coupling
  作者：Dan Chen、Lei Xu、Tianyu Long、Shengqing Zhu、Jun Yang、Lingling Chu

  DOI：10.1039/c8sc03493a

  日期：——

  An efficient, metal-free strategy for the intermolecular three-component carbopyridylation of styrenes, enabled by Hantzsch ester and visible light, has been described. This versatile protocol gives access to important β-CF3 pyridines, through the regioselective, sequential formation of two C–C bonds without the use of exogenous catalysts. The value of this benign protocol has been demonstrated through

  已经描述了一种有效的，无金属的，通过Hantzsch酯和可见光实现的苯乙烯分子间三组分碳吡啶基化的策略。这种多用途的协议可以访问重要的β-CF 3个，而不使用外源性催化剂的吡啶，通过区域选择性，两个C-C键依次形成。通过基于天然产物和药物的复杂分子的功能化，已经证明了这种良性方案的价值。
• Propane-1,3-Dione Derivative or Salt Thereof
  申请人：Hirano Masaaki

  公开号：US20090018177A1

  公开（公告）日：2009-01-15

  Compounds useful as GnRH receptor antagonists are provided. The present inventors have further examined propane-1,3-dione derivatives and confirmed as a result that a propane-1,3-dione having 2-(1,3-dihydro-2H-benzimidazol-2-ylidene), or a compound which has benzene or thiophene ring substituted with a group derived from 1-hydroxymethyl, shows excellent availability, in addition to its excellent GnRH receptor antagonism, thereby accomplishing the invention. Since the compound of the invention shows excellent availability, in addition to its strong GnRH receptor antagonism, it can be expected that it exerts superior drug effect in the living body, and it is useful for the treatment of sex hormone dependent diseases such as prostate cancer, breast cancer, endometriosis, uterine leiomyoma, benign prostatic hypertrophy and the like. In addition, since the compound of the invention is excellent in metabolic stability in human and also is less in drug interaction, it has more desirable properties as a medicament to be used for the aforementioned diseases.

  本发明提供了作为GnRH受体拮抗剂有用的化合物。本发明人进一步研究了丙酮酸-1,3衍生物，并确认结果为具有2-（1,3-二氢-2H-苯并咪唑-2-基）的丙酮酸-1,3或具有苯环或噻吩环，其被1-羟甲基衍生物取代的化合物，除了具有优异的GnRH受体拮抗作用外，还具有出色的可用性，从而完成了该发明。由于该发明的化合物除了具有强大的GnRH受体拮抗作用外，还具有出色的可用性，因此可以预期它在生物体内发挥出卓越的药效，并且对于治疗性激素依赖性疾病，例如前列腺癌，乳腺癌，子宫内膜异位症，子宫肌瘤，良性前列腺增生等，具有用处。此外，由于该发明的化合物在人体内具有优异的代谢稳定性并且药物相互作用较少，因此作为用于上述疾病的药物具有更理想的性质。
• BENZIMIDAZOLYLIDENE PROPANE-1,3-DIONE DERIVATIVE OR SALT THEREOF
  申请人：Hirano Masaaki

  公开号：US20100173946A1

  公开（公告）日：2010-07-08

  Compounds useful as GnRH receptor antagonists are provided. The present inventors have further examined propane-1,3-dione derivatives and confirmed as a result that a propane-1,3-dione having 2-(1,3-dihydro-2H-benzimidazol-2-ylidene), or a compound which has benzene or thiophene ring substituted with a group derived from 1-hydroxymethyl, shows excellent availability, in addition to its excellent GnRH receptor antagonism, thereby accomplishing the invention. Since the compound of the invention shows excellent availability, in addition to its strong GnRH receptor antagonism, it can be expected that it exerts superior drug effect in the living body, and it is useful for the treatment of sex hormone dependent diseases such as prostate cancer, breast cancer, endometriosis, uterine leiomyoma, benign prostatic hypertrophy and the like. In addition, since the compound of the invention is excellent in metabolic stability in human and also is less in drug interaction, it has more desirable properties as a medicament to be used for the aforementioned diseases.

  本发明提供了作为GnRH受体拮抗剂有用的化合物。本发明人进一步研究了丙酮酸1,3-二酮衍生物，并确认结果表明，具有2-(1,3-二氢-2H-苯并咪唑-2-基)的丙酮酸1,3-二酮，或者具有苯环或噻吩环取代自1-羟甲基衍生物的化合物，除了具有优异的GnRH受体拮抗作用外，还表现出优异的可用性，从而实现了本发明。由于本发明的化合物除了具有强大的GnRH受体拮抗作用外，还具有优异的可用性，因此可以期望它在生物体内发挥出更卓越的药效，对于治疗前列腺癌、乳腺癌、子宫内膜异位症、子宫肌瘤、良性前列腺增生等性激素依赖性疾病非常有用。此外，由于本发明的化合物在人体内代谢稳定性优异且药物相互作用较少，因此具有更理想的性质，可用作上述疾病的药物。
• PROPANE-1,3-DIONE DERIVATIVE OR ITS SALT
  申请人：Astellas Pharma Inc.

  公开号：EP1752452A1

  公开（公告）日：2007-02-14

  Compounds useful as GnRH receptor antagonists are provided. The present inventors have further examined propane-1,3-dione derivatives and confirmed as a result that a propane-1,3-dione having 2-(1,3-dihydro-2H-benzimidazol-2-ylidene), or a compound which has benzene or thiophene ring substituted with a group derived from 1-hydroxymethyl, shows excellent availability, in addition to its excellent GnRH receptor antagonism, thereby accomplishing the invention. Since the compound of the invention shows excellent availability, in addition to its strong GnRH receptor antagonism, it can be expected that it exerts superior drug effect in the living body, and it is useful for the treatment of sex hormone dependent diseases such as prostate cancer, breast cancer, endometriosis, uterine leiomyoma, benign prostatic hypertrophy and the like. In addition, since the compound of the invention is excellent in metabolic stability in human and also is less in drug interaction, it has more desirable properties as a medicament to be used for the aforementioned diseases.

  提供了可用作 GnRH 受体拮抗剂的化合物。本发明者进一步研究了丙烷-1,3-二酮衍生物，结果证实，具有 2-(1,3-二氢-2H-苯并咪唑-2-亚基)的丙烷-1,3-二酮或苯环或噻吩环被来自 1-羟甲基的基团取代的化合物，除了具有出色的 GnRH 受体拮抗作用外，还显示出出色的可用性，从而实现了本发明。由于本发明的化合物除了具有很强的 GnRH 受体拮抗作用外，还显示出很好的可用性，因此可望在活体内发挥卓越的药效，可用于治疗性激素依赖性疾病，如前列腺癌、乳腺癌、子宫内膜异位症、子宫肌瘤、良性前列腺肥大等。此外，由于本发明的化合物在人体中的代谢稳定性极佳，药物相互作用也较少，因此作为治疗上述疾病的药物具有更理想的特性。
• 苯基取代的杂芳基类化合物及其药物组合物、制备方法和用途
  申请人：上海美悦生物科技发展有限公司

  公开号：CN118344289A

  公开（公告）日：2024-07-16

  本公开涉及一种苯基取代的杂芳基类化合物及其用途，具体而言，提供了一类式(I)所示的苯基取代的杂芳基类化合物，其可用于制备药物，特别是制备预防和/或治疗p38 MAPK/MK2通路介导的疾病或病症的药物。式(I)中各基团如说明书中所定义。#imgabs0#