5-(4'-hydroxymethyl-phenyl)-indan-1-one | 848760-74-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: 5-(4'-hydroxymethyl-phenyl)-indan-1-one
• 英文别名: 5-[4-(Hydroxymethyl)phenyl]-2,3-dihydroinden-1-one
• CAS: 848760-74-7
• 化学式: C₁₆H₁₄O₂
• 分子量: 238.286
• InChiKey: GDEUQKTXERQPTC-UHFFFAOYSA-N

物化性质

• 熔点：
  156 °C(Solv: tetrahydrofuran (109-99-9))
• 沸点：
  457.4±44.0 °C(Predicted)
• 密度：
  1.227±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2914400090

反应信息

• 作为反应物：
  描述：

  5-(4'-hydroxymethyl-phenyl)-indan-1-one 在 咪唑 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 生成 6-{4'-[(triisopropylsiloxy)methyl]phenyl}-1H-indene
  参考文献：
  名称：

  Selective alkylation and Suzuki coupling as an efficient strategy for introducing functional anchors to the ethylene-bis(indenyl) ligand

  摘要：

  Chiral ansa-ethylene-bis(indenyl)-metal complexes, EBI-MX2, are useful pre-catalysts for a wide variety of reactions, including hydrogenations, hydrosilylations, and polymerization reactions. In order to immobilize these complexes onto heterogeneous supports, a new methodology was developed to introduce functional anchors to the ethylene-bis(indenyl) ligand, EBI. This was accomplished by selective alkylation of indene to form toluene-4-sulfonic acid 2-(3H-inden-1-y1)-ethyl ester, which was then used to alkylate 6-bromoindene. The selective introduction of an aryl bromide then undergoes coupling reactions with aryl borates via the Suzuki coupling to efficiently introduce an alkenyl or alcohol, functional anchor in a simple four step synthesis. (C) 2005 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2004.12.101
• 作为产物：
  描述：

  5-溴茚酮 、 4-羟甲基苯硼酸 在 palladium on activated charcoal sodium carbonate 作用下， 以 水 、 异丙醇 为溶剂， 反应 1.0h， 以98%的产率得到5-(4'-hydroxymethyl-phenyl)-indan-1-one
  参考文献：
  名称：

  Selective alkylation and Suzuki coupling as an efficient strategy for introducing functional anchors to the ethylene-bis(indenyl) ligand

  摘要：

  Chiral ansa-ethylene-bis(indenyl)-metal complexes, EBI-MX2, are useful pre-catalysts for a wide variety of reactions, including hydrogenations, hydrosilylations, and polymerization reactions. In order to immobilize these complexes onto heterogeneous supports, a new methodology was developed to introduce functional anchors to the ethylene-bis(indenyl) ligand, EBI. This was accomplished by selective alkylation of indene to form toluene-4-sulfonic acid 2-(3H-inden-1-y1)-ethyl ester, which was then used to alkylate 6-bromoindene. The selective introduction of an aryl bromide then undergoes coupling reactions with aryl borates via the Suzuki coupling to efficiently introduce an alkenyl or alcohol, functional anchor in a simple four step synthesis. (C) 2005 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2004.12.101

文献信息

• 2-Aminothiazole allosteric enhancers of a ?1? adenosine receptors
  申请人：Linden Joel

  公开号：US20050027125A1

  公开（公告）日：2005-02-03

  The present invention relates generally to a class of 2-aminothiazole derivatives which have recently been identified as allosteric enhancers of the A 1? adenosine receptor. These compounds, and therapeutic compositions containing them, are useful for treating conditions in which activation of the A 1? adenosine receptor would be beneficial, for example, those conditions in which stimulation of angiogenesis would improve blood flow to ischemic tissues.

  本发明总体上涉及一类 2-氨基噻唑衍生物，这些衍生物最近被鉴定为 A 1?这些化合物以及含有它们的治疗组合物可用于治疗激活 A 1? 1? 腺苷受体将是有益的，例如，刺激血管生成将改善缺血组织的血流量。
• EP1583530A4
  申请人：——

  公开号：EP1583530A4

  公开（公告）日：2008-07-23
• 2-AMINOTHIAZOLE ALLOSTERIC ENHANCERS OF A1-ADENOSINE RECEPTORS
  申请人：UNIVERSITY OF VIRGINIA PATENT FOUNDATION

  公开号：EP1583530A1

  公开（公告）日：2005-10-12
• US7485655B2
  申请人：——

  公开号：US7485655B2

  公开（公告）日：2009-02-03
• [EN] 2-AMINOTHIAZOLE ALLOSTERIC ENHANCERS OF A¿1? ADENOSINE RECEPTORS<br/>[FR] ACTIVATEURS ALLOSTERIQUES 2-AMINOTHIAZOLES DES RECEPTEURS DE L'ADENOSINE A1
  申请人：UNIV VIRGINIA

  公开号：WO2003061655A1

  公开（公告）日：2003-07-31

  The present invention relates generally to a class of 2-aminothiazole derivatives which have recently been identified as allosteric enhancers of the A1 adenosine receptor. These compounds, and therapeutic compositions containing them, are useful for treating conditions in which activation of the A1 adenosine receptor would be beneficial, for example, those conditions in which stimulation of angiogenesis would improve blood flow to ischemic tissues.