α-isopropylcyclohexaneacetic acid | 19986-15-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: α-isopropylcyclohexaneacetic acid
• 英文别名: 2-Cyclohexyl-3-methyl-buttersaeure；2-Cyclohexyl-3-methylbutanoic acid
• CAS: 19986-15-3
• 化学式: C₁₁H₂₀O₂
• 分子量: 184.279
• InChiKey: YIPUQILUTXJEEA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  α-isopropylcyclohexaneacetic acid 、 苯酚 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 以86%的产率得到α-isopropylcyclohexaneacetic acid phenyl ester
  参考文献：
  名称：

  Enantioselective synthesis of allenecarboxylates from phenyl acetates through CC bond forming reactions

  摘要：

  A variety of optically active 4,4-disubstituted allenecarboxylic acid methyl esters were prepared from simple alpha,alpha -disubstituted phenyl acetate through base treatment of the esters to generate ketenes, followed by successive Horner-Wadsworth-Emmons reaction. The transformation was further developed as a one-pot procedure with satisfactory yields and high enantioselectivity. (C) 2001 EIsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(01)00114-8
• 作为产物：
  描述：

  α-iso-propylcyclohexaneacetic acid methyl ester 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以46%的产率得到α-isopropylcyclohexaneacetic acid
  参考文献：
  名称：

  Enantioselective synthesis of allenecarboxylates from phenyl acetates through CC bond forming reactions

  摘要：

  A variety of optically active 4,4-disubstituted allenecarboxylic acid methyl esters were prepared from simple alpha,alpha -disubstituted phenyl acetate through base treatment of the esters to generate ketenes, followed by successive Horner-Wadsworth-Emmons reaction. The transformation was further developed as a one-pot procedure with satisfactory yields and high enantioselectivity. (C) 2001 EIsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(01)00114-8

文献信息

• 4-(8-METHOXY-1-((1-METHOXYPROPAN-2-YL)-2-(TETRAHYDRO-2H-PYRAN-4-YL)-1 H-IMIDAZO[4,5-C]QUINOLIN-7-YL)-3,5-DIMETHYLISOXAZOLE AND ITS USE AS BROMODOMAIN INHIBITOR
  申请人：GlaxoSmithKline LLC

  公开号：US20140171462A1

  公开（公告）日：2014-06-19

  Novel quinoline compounds pharmaceutical compositions containing such compounds and their use in therapy.

  小说喹啉化合物、含有这种化合物的药物组合物以及它们在治疗中的使用。
• Methods and compositions of novel triazine compounds
  申请人：Timmer T. Richard

  公开号：US20070099874A1

  公开（公告）日：2007-05-03

  The present invention relates to methods and compositions comprising compounds that treat pathophysiological conditions arising from inflammatory responses. In particular, the present invention is directed to compounds that inhibit or block glycated protein produced induction of the signaling-associated inflammatory response in endothelial cells. The present invention relates to compounds that inhibit smooth muscle proliferation. In particular, the present invention is directed to compounds that inhibit smooth muscle cell proliferation by modulating HSPGs such as Perlecan. The present invention further relates to the use of compounds to treat vascular occlusive conditions characterized by smooth muscle proliferation such as restenosis and atherosclerosis.

  本发明涉及用于治疗由炎症反应引起的病理生理状态的化合物的方法和组合物。特别地，本发明涉及抑制或阻断糖化蛋白诱导内皮细胞信号相关炎症反应的化合物。本发明涉及抑制平滑肌增殖的化合物。特别地，本发明涉及通过调节HSPG（如Perlecan）来抑制平滑肌细胞增殖的化合物。本发明进一步涉及使用化合物治疗由平滑肌增殖所特征的血管闭塞性疾病，例如再狭窄和动脉粥样硬化。
• ACTIVE INGREDIENT-RELEASING CYCLIC SILOXANES
  申请人：General Electric Company

  公开号：EP1697386B1

  公开（公告）日：2007-10-10
• BICYCLIC SILOXANE COMPOSITIONS FOR THE RELEASE OF ACTIVE INGREDIENTS
  申请人：Momentive Performance Materials Inc.

  公开号：EP1716159B1

  公开（公告）日：2011-07-13
• VERBRAUCHSPRODUKTE MIT WELCHSELNDEN GERUCHSBILDERN
  申请人：HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN

  公开号：EP1922398A1

  公开（公告）日：2008-05-21