4-(4-甲基哌嗪-1-基)磺酰苯酚 | 117209-61-7

• 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: 4-(4-甲基哌嗪-1-基)磺酰苯酚
• 英文名称: 4-(4-methylpiperazin-1-ylsulfonyl)phenol
• 英文别名: 4-(4-Methylpiperazin-1-sulfonyl)phenol；4-(4-Methylpiperazine-1-sulfonyl)phenol；4-(4-methylpiperazin-1-yl)sulfonylphenol
• CAS: 117209-61-7
• 化学式: C₁₁H₁₆N₂O₃S
• mdl: MFCD11164632
• 分子量: 256.326
• InChiKey: LAYRCNCYOMHWSI-UHFFFAOYSA-N

物化性质

• 沸点：
  419.1±55.0 °C(Predicted)
• 密度：
  1.319±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.454
• 拓扑面积：
  69.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(4-甲基哌嗪-1-基)磺酰苯酚 在 三乙基硅烷 、 1,3-双(二苯基膦)丙烷 、 palladium diacetate 、 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.75h， 生成 1-甲基-4-(苯磺酰)哌嗪
  参考文献：
  名称：

  A Fluorinated Ligand Enables Room-Temperature and Regioselective Pd-Catalyzed Fluorination of Aryl Triflates and Bromides

  摘要：

  A new biaryl monophosphine ligand (AlPhos, L1) allows for the room-temperature Pd-catalyzed fluorination of a variety of activated (hetero)aryl trifiates. Furthermore, aryl triflates and bromides that are prone to give mixtures of regioisomeric aryl fluorides with Pd-catalysis can now be converted to the desired aryl fluorides with high regioselectivity. Analysis of the solid-state structures of several Pd(II) complexes, as well as density functional theory (DFT) calculations, shed light on the origin of the enhanced reactivity observed with L1.

  DOI：

  10.1021/jacs.5b09308
• 作为产物：
  描述：

  1-(4-溴苯基磺酰基)-4-甲基哌嗪 在 cesium hydroxide 、 2-二叔丁基膦-2′,4′,6′-三异丙基-3,6-二甲氧基-1,1′-联苯 、 C₄₄H₆₂NO₅PPdS 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 22.0h， 以54%的产率得到4-(4-甲基哌嗪-1-基)磺酰苯酚
  参考文献：
  名称：

  A Fluorinated Ligand Enables Room-Temperature and Regioselective Pd-Catalyzed Fluorination of Aryl Triflates and Bromides

  摘要：

  A new biaryl monophosphine ligand (AlPhos, L1) allows for the room-temperature Pd-catalyzed fluorination of a variety of activated (hetero)aryl trifiates. Furthermore, aryl triflates and bromides that are prone to give mixtures of regioisomeric aryl fluorides with Pd-catalysis can now be converted to the desired aryl fluorides with high regioselectivity. Analysis of the solid-state structures of several Pd(II) complexes, as well as density functional theory (DFT) calculations, shed light on the origin of the enhanced reactivity observed with L1.

  DOI：

  10.1021/jacs.5b09308

文献信息

• SUBSTITUTED CINNAMIC, ACID GUANIDIDES, PROCESS FOR THEIR PREPARATION, THEIR USE AS A MEDICAMENT, AND MEDICAMENT COMPRISING THEM
  申请人：Aventis Pharma Deutschland GmbH.

  公开号：US20020058710A1

  公开（公告）日：2002-05-16

  Substituted cinnamic acid guanidides, process for their preparation, their use as a medicament or diagnostic, and medicament comprising them. Compounds of the 1 , which may be obtained by reaction of a compound II 2 with guanidine.

  苯丙烯酸胍衍生物，其制备方法，作为药物或诊断用途的使用，以及包含它们的药物。可以通过化合物II2与胍反应获得的化合物1。
• SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF
  申请人：Rackelmann Nils

  公开号：US20110201590A1

  公开（公告）日：2011-08-18

  The invention relates to substituted aminoindanes and analogs thereof of formula (I) and the pharmaceutical use thereof. Medicaments which comprise compounds of this type are suitable for the prevention or treatment of diverse disorders such as, for example, of respiratory disorders, cystic fibrosis disorders, acute or chronic renal disorders or bowel disorders.

  该发明涉及公式（I）的替代氨基茚和类似物及其药用。包含这类化合物的药物适用于预防或治疗各种疾病，例如呼吸系统疾病、囊性纤维化疾病、急性或慢性肾脏疾病或肠道疾病。
• [EN] SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF<br/>[FR] AMINOINDANES SUBSTITUÉS, LEURS ANALOGUES, ET LEUR UTILISATION PHARMACEUTIQUE
  申请人：SANOFI AVENTIS

  公开号：WO2010025856A1

  公开（公告）日：2010-03-11

  The invention relates to substituted aminoindanes and analogs thereof of formula (I) and the pharmaceutical use thereof. Medicaments which comprise compounds of this type are suitable for the prevention or treatment of diverse disorders such as, for example, of respiratory disorders, cystic fibrosis disorders, acute or chronic renal disorders or bowel disorders.

  本发明涉及式（I）的取代氨基茚烷及其类似物，以及它们的药物用途。包含此类化合物的药物适用于预防或治疗诸如呼吸系统疾病、囊性纤维化疾病、急性或慢性肾脏疾病或肠道疾病等各种疾病。
• SUBSTITUIERTE ZIMTSÄUREGUANIDIDE, VERFAHREN ZU IHRER HERSTELLUNG, IHRE VERWENDUNG ALS MEDIKAMENT SOWIE SIE ENTHALTENDES MEDIKAMENT
  申请人：Aventis Pharma Deutschland GmbH

  公开号：EP1322602A1

  公开（公告）日：2003-07-02
• US6399824B1
  申请人：——

  公开号：US6399824B1

  公开（公告）日：2002-06-04