methyl 2-oxo-5-propylcyclohexanecarboxylate | 942414-11-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methyl 2-oxo-5-propylcyclohexanecarboxylate
• 英文别名: methyl 2-oxo-5-propylcyclohexane-1-carboxylate
• CAS: 942414-11-1
• 化学式: C₁₁H₁₈O₃
• 分子量: 198.262
• InChiKey: OWTWXGYCSWZKFL-UHFFFAOYSA-N

物化性质

• 沸点：
  276.5±33.0 °C(Predicted)
• 密度：
  1.018±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl 2-oxo-5-propylcyclohexanecarboxylate 、 2-[N,正双(三氟甲烷烷磺酰)氨基]-5-氯吡啶 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 生成 methyl 5-propyl-2-trifluoromethanesulfonyloxycyclohex-1-enecarboxylate
  参考文献：
  名称：

  Anthranilic acid replacements in a niacin receptor agonist

  摘要：

  Niacin is an effective drug for raising HDL cholesterol. However, niacin must be taken in large doses and significant side effects are often observed, including facial flushing, loss of glucose tolerance, and liver toxicity. An anthranilic acid was identified as an agonist of the niacin receptor. In order to improve efficacy and provide structural diversity, replacements for the anthranilic acid were investigated and several compounds with improved properties were identified. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.04.001
• 作为产物：
  描述：

  氰基甲酸甲酯 、 4-丙基环己基酮 在 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 为溶剂， 生成 methyl 2-oxo-5-propylcyclohexanecarboxylate
  参考文献：
  名称：

  Anthranilic acid replacements in a niacin receptor agonist

  摘要：

  Niacin is an effective drug for raising HDL cholesterol. However, niacin must be taken in large doses and significant side effects are often observed, including facial flushing, loss of glucose tolerance, and liver toxicity. An anthranilic acid was identified as an agonist of the niacin receptor. In order to improve efficacy and provide structural diversity, replacements for the anthranilic acid were investigated and several compounds with improved properties were identified. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.04.001

文献信息

• Benzochromene Derivatives for Use in Liquid Crystal Media and as Therapeutic Active Substances
  申请人：Taugerbeck Andreas

  公开号：US20090247620A1

  公开（公告）日：2009-10-01

  The present invention relates to benzochromene derivatives of the formula I where the various parameters have the meaning indicated in the text, and to liquid-crystal media which comprise these compounds, and to the use of the media in electro-optical displays, in particular in TN, OCB, LCOS and/or IPS-LCDs, and to the use of the compounds and physiologically acceptable derivatives thereof as therapeutic active ingredients.

  本发明涉及式I的苯基色素衍生物，其中各种参数的含义如文本所示，以及包括这些化合物的液晶介质，以及在TN、OCB、LCOS和/或IPS-LCD等电光显示器中使用这些介质，以及将这些化合物及其生理上可接受的衍生物用作治疗活性成分。
• Benzochromene Derivatives
  申请人：Taugerbeck Andreas

  公开号：US20090023802A1

  公开（公告）日：2009-01-22

  The present invention relates to benzochromene derivatives of the formula I where the various parameters have the meaning indicated in the text, and to liquid-crystal media which comprise these compounds, and to the use of the media in electro-optical displays, in particular in VAN-LCDs, and to the use of the compounds and physiologically acceptable derivatives thereof as therapeutic active ingredients.

  本发明涉及式I的苯基色素衍生物，其中各种参数的含义如文本所示，以及包含这些化合物的液晶介质，以及在电光显示器中的使用，特别是在VAN-LCD中的使用，以及将这些化合物及其生理上可接受的衍生物用作治疗活性成分的用途。
• Benzochromene derivatives
  申请人：Merck Patent GmbH

  公开号：US07824745B2

  公开（公告）日：2010-11-02

  The present invention relates to benzochromene derivatives of the formula I where the various parameters have the meaning indicated in the text, and to liquid-crystal media which comprise these compounds, and to the use of the media in electro-optical displays, in particular in VAN-LCDs, and to the use of the compounds and physiologically acceptable derivatives thereof as therapeutic active ingredients.

  本发明涉及公式I的苯并色酮衍生物，其中各参数在文本中有所说明，以及包含这些化合物的液晶介质，以及将介质用于电光显示，特别是VAN-LCD中的用途，以及将这些化合物及其生理上可接受的衍生物用作治疗活性成分的用途。
• BENZOCHROMENDERIVATE ZUR VERWENDUNG IN FLÜSSIGKRISTALLMEDIEN UND ALS THERAPEUTISCHE WIRKSTOFFE
  申请人：Merck Patent GmbH

  公开号：EP1963300B1

  公开（公告）日：2012-08-22
• Benzochromenderivate
  申请人：Merck Patent GmbH

  公开号：EP1963298B1

  公开（公告）日：2011-11-02