(9CI)-2,3-二氟苯硫酚 | 130922-39-3

• 物质功能分类: 化学试剂 - 有机试剂 - 硫醇/硫酚
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯硫酚类
• 中文名称: (9CI)-2,3-二氟苯硫酚
• 中文别名: 2,3-二氟苯硫酚
• 英文名称: 2,3-difluorobenzenethiol
• CAS: 130922-39-3
• 化学式: C₆H₄F₂S
• mdl: MFCD13185577
• 分子量: 146.161
• InChiKey: QYTSIBBNZWTHMZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  1
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2930909090
• 储存条件：
  室温

反应信息

• 作为反应物：
  描述：

  (9CI)-2,3-二氟苯硫酚 在 sodium methylate 、 溶剂黄146 作用下， 以 甲醇 为溶剂， 反应 16.0h， 生成 2-cyclohexyl-5-(2,3-difluorophenylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
  参考文献：
  名称：

  The discovery of potent, orally bioavailable pyrazolo and triazolopyrimidine CXCR2 receptor antagonists

  摘要：

  A hit-to-lead optimisation programme was carried out on the Novartis archive screening hit, pyrazolopyrimidine 2-methyl-5-((phenylthio)methyl)pyrazolo[1,5-a]pyrimidin-7-ol 1, resulting in the discovery of CXCR2 receptor antagonist 2-benzyl-5-(((2,3-difluorophenyl)thio)methyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol 14. The SAR was investigated by systematic variation of the pendant thiol, alkyl and pyrimidinol groups. Replacement of the pyrazolopyrimidine core with a triazolo alternative led to a dual series of antagonists with favourable biological and pharmacokinetic properties. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.11.074
• 作为产物：
  描述：

  2,3-二氟苯酚 在 三乙烯二胺 、 dowtherm A 、 sodium methylate 、 potassium carbonate 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 生成 (9CI)-2,3-二氟苯硫酚
  参考文献：
  名称：

  The discovery of potent, orally bioavailable pyrazolo and triazolopyrimidine CXCR2 receptor antagonists

  摘要：

  A hit-to-lead optimisation programme was carried out on the Novartis archive screening hit, pyrazolopyrimidine 2-methyl-5-((phenylthio)methyl)pyrazolo[1,5-a]pyrimidin-7-ol 1, resulting in the discovery of CXCR2 receptor antagonist 2-benzyl-5-(((2,3-difluorophenyl)thio)methyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol 14. The SAR was investigated by systematic variation of the pendant thiol, alkyl and pyrimidinol groups. Replacement of the pyrazolopyrimidine core with a triazolo alternative led to a dual series of antagonists with favourable biological and pharmacokinetic properties. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.11.074

文献信息

• [EN] METHODS FOR PRODUCING ARYLSULFUR PENTAFLUORIDES<br/>[FR] PROCÉDÉS DE PRODUCTION DE PENTAFLUORURES DE SOUFRE ARYLÉS
  申请人：IM & T RES INC

  公开号：WO2010014665A1

  公开（公告）日：2010-02-04

  Novel methods for preparing arylsulfur pentafluorides are disclosed. Arylsulfur halotetrafluoride is reacted with a fluoride source under hydrous conditions to form an arylsulfur pentafluoride. The purification method is also disclosed.

  揭示了制备芳基硫五氟化物的新方法。芳基硫卤四氟化物在湿润条件下与氟化物源反应，形成芳基硫五氟化物。还公开了纯化方法。
• PROCESS FOR PRODUCING ARYLSULFUR PENTAFLUORIDES
  申请人：UMEMOTO TERUO

  公开号：US20080234520A1

  公开（公告）日：2008-09-25

  Novel processes for preparing arylsulfur pentafluorides are disclosed. Processes include reacting at least one aryl sulfur compound with a halogen and a fluoro salt to form an arylsulfur halotetrafluoride. The arylsulfur halotetrafluoride is reacted with a fluoride source to form a target arylsulfur pentafluoride.

  揭示了制备芳基硫五氟化物的新工艺。该工艺包括将至少一种芳基硫化合物与卤素和氟盐反应，形成芳基硫卤四氟化物。然后将芳基硫卤四氟化物与氟化物源反应，形成目标芳基硫五氟化物。
• [EN] SUBSTITUTED IMIDAZOPYRIDINES AND INTERMEDIATES THEREOF<br/>[FR] IMIDAZOPYRIDINES SUBSTITUÉES ET INTERMÉDIAIRES ASSOCIÉS
  申请人：BAYER PHARMA AG

  公开号：WO2012136531A1

  公开（公告）日：2012-10-11

  The present invention relates to substituted imidazopyridine compounds of general formula (I) in which R3, R5 and A are as defined in the claims, to methods of preparing said compounds, to pharmaceutical compositions and combinations comprising said compounds and to the use of said compounds for manufacturing a pharmaceutical composition for the treatment or prophylaxis of a disease, in particular of a hyper-proliferative and/or angiogenesis disorder, as a sole agent or in combination with other active ingredients.

  本发明涉及通式（I）中R3、R5和A如权利要求中所定义的取代咪唑吡啶化合物，以及制备所述化合物的方法，包括含有所述化合物的药物组合物和配方，以及利用所述化合物制造用于治疗或预防疾病的药物组合物，特别是用作唯一活性成分或与其他活性成分组合使用，治疗或预防高增殖和/或血管生成紊乱。
• [EN] SUBSTITUTED IMIDAZOPYRIDAZINES<br/>[FR] IMIDAZOPYRIDAZINES SUBSTITUÉES
  申请人：BAYER PHARMA AG

  公开号：WO2012032031A1

  公开（公告）日：2012-03-15

  The present invention relates to substituted imidazopyridazine compounds of general formula (l), which are Mps -1 (Monopolar Spindle 1) Kinase inhibitors (also known as Tyrosine Threonine Kinase, TTK) in which R3, R5, and A are as defined in the claims, to methods of preparing said compounds, to pharmaceutical compositions and combinations comprising said compounds and to the use of said compounds for manufacturing a pharmaceutical composition for the treatment or prophylaxis of a disease, in particular of a hyper-proliferative and/or angiogenesis disorder, as a sole agent or in combination with other active ingredients.

  本发明涉及通式(l)的取代咪唑吡啶并联化合物，这些化合物是Mps-1（单极纺锤体1）激酶抑制剂（也称为酪氨酸苏氨酸激酶，TTK），其中R3、R5和A如权利要求中所定义，以及制备所述化合物的方法，包括含有所述化合物的药物组合物和配方，以及利用所述化合物制造用于治疗或预防疾病的药物组合物，特别是用作唯一药剂或与其他活性成分组合使用时，用于治疗或预防过度增殖和/或血管生成紊乱。
• Therapeutic modulation of PPARgamma activity
  申请人：Chen Jin-Long

  公开号：US20050250820A1

  公开（公告）日：2005-11-10

  Modulators of PPARγ activity are used in methods of treating and/or preventing conditions such as osteoporosis, Alzheimer's disease, psoriasis and acne, and cancer.

  PPARγ活性调节剂被用于治疗和/或预防骨质疏松症、阿尔茨海默病、银屑病和痤疮以及癌症等疾病的方法中。