(2-环己基苯基)乙酸酯 | 27163-72-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 中文名称: (2-环己基苯基)乙酸酯
• 英文名称: 2-cyclohexylphenyl acetate
• 英文别名: 1-Acetyloxy-2-cyclohexyl-benzol；(2-cyclohexylphenyl) acetate
• CAS: 27163-72-0
• 化学式: C₁₄H₁₈O₂
• 分子量: 218.296
• InChiKey: KQIBCUGTHWUJFR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2915390090

反应信息

• 作为反应物：
  描述：

  (2-环己基苯基)乙酸酯 在 三氯化铝 、 1,4-dioxane dibromide 作用下， 以 1,4-二氧六环 、 乙醚 、 硝基苯 为溶剂， 反应 6.0h， 生成 2-Bromo-1-(3-cyclohexyl-4-hydroxy-phenyl)-ethanone
  参考文献：
  名称：

  Synthesis and structure-activity relationships among .alpha.-adrenergic receptor agonists of the phenylethanolamine type

  摘要：

  Nineteen arylethanolamine derivatives related to norepinephrine were prepared and tested for alpha-adrenergic stimulant activity. In one series the analogues possess a p-hydroxy function, while the meta position is substituted by methyl, ethyl, isopropyl, chlohexyl, fluoro, chloro, iodo, carboxy, carbomethoxy, and methylsulfamido groups. The other series is meta hydroxylated with the para position substituted by the same groups. The influence of these groups upon the alpha-adrenergic activity is discussed, and the compounds are compared to octopamine, normetanephrine, norepinephrine, and norphenylephrine. It has been found that the introduction of an isopropyl, cyclohexyl, and fluoro group in the meta position of octopamine improves its affinity by three, five, and six times, respectively, whereas when these groups are introduced in the para position of norphenylephrine their effects are always detrimental. The most active compound, alpha-(aminomethyl)(4-fluoro-3-hydroxyphenyl)methanol (44), has about one-hundredth the affinity and the same intrinsic activity as norepinephrine.

  DOI：

  10.1021/jm00181a008
• 作为产物：
  描述：

  环己酚 、 乙酸酐 反应 6.0h， 生成 (2-环己基苯基)乙酸酯
  参考文献：
  名称：

  Synthesis and structure-activity relationships among .alpha.-adrenergic receptor agonists of the phenylethanolamine type

  摘要：

  Nineteen arylethanolamine derivatives related to norepinephrine were prepared and tested for alpha-adrenergic stimulant activity. In one series the analogues possess a p-hydroxy function, while the meta position is substituted by methyl, ethyl, isopropyl, chlohexyl, fluoro, chloro, iodo, carboxy, carbomethoxy, and methylsulfamido groups. The other series is meta hydroxylated with the para position substituted by the same groups. The influence of these groups upon the alpha-adrenergic activity is discussed, and the compounds are compared to octopamine, normetanephrine, norepinephrine, and norphenylephrine. It has been found that the introduction of an isopropyl, cyclohexyl, and fluoro group in the meta position of octopamine improves its affinity by three, five, and six times, respectively, whereas when these groups are introduced in the para position of norphenylephrine their effects are always detrimental. The most active compound, alpha-(aminomethyl)(4-fluoro-3-hydroxyphenyl)methanol (44), has about one-hundredth the affinity and the same intrinsic activity as norepinephrine.

  DOI：

  10.1021/jm00181a008

文献信息

• [EN] CRTH2 RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DU RECEPTEUR DE CRTH2
  申请人：NOVARTIS AG

  公开号：WO2005105727A1

  公开（公告）日：2005-11-10

  There are provided according to the invention compounds of formula (I) in free or salt form, wherein R1, R2, R3, X, Y, Z, m, and n are as described in the specification, process for preparing them, and their use as pharmaceuticals.

  根据该发明提供了化合物的公式(I)的自由或盐形式，其中R1、R2、R3、X、Y、Z、m和n如规范中所述，以及制备它们的过程，以及它们作为药物的用途。
• Crth2 Receptor Antagonists
  申请人：Sandham David Andrew

  公开号：US20080269335A1

  公开（公告）日：2008-10-30

  There are provided according to the invention compounds of formula (I) in free or salt form, wherein R<1>, R<2>, R<3>, X, Y, Z, m, and n are as described in the specification, process for preparing them, and their use as pharmaceuticals.

  根据本发明，提供了式(I)的化合物，其以自由形式或盐形式存在，其中R <1>，R <2>，R <3>，X，Y，Z，m和n如规范中所述，以及制备它们的过程和它们作为药物的用途。
• CRTH2 RECEPTOR ANTAGONISTS
  申请人：Novartis AG

  公开号：EP1756032A1

  公开（公告）日：2007-02-28
• Synthesis and structure-activity relationships among .alpha.-adrenergic receptor agonists of the phenylethanolamine type
  作者：Gerard Leclerc、Jean Claude Bizec、Nicole Bieth、Jean Schwartz

  DOI：10.1021/jm00181a008

  日期：1980.7

  Nineteen arylethanolamine derivatives related to norepinephrine were prepared and tested for alpha-adrenergic stimulant activity. In one series the analogues possess a p-hydroxy function, while the meta position is substituted by methyl, ethyl, isopropyl, chlohexyl, fluoro, chloro, iodo, carboxy, carbomethoxy, and methylsulfamido groups. The other series is meta hydroxylated with the para position substituted by the same groups. The influence of these groups upon the alpha-adrenergic activity is discussed, and the compounds are compared to octopamine, normetanephrine, norepinephrine, and norphenylephrine. It has been found that the introduction of an isopropyl, cyclohexyl, and fluoro group in the meta position of octopamine improves its affinity by three, five, and six times, respectively, whereas when these groups are introduced in the para position of norphenylephrine their effects are always detrimental. The most active compound, alpha-(aminomethyl)(4-fluoro-3-hydroxyphenyl)methanol (44), has about one-hundredth the affinity and the same intrinsic activity as norepinephrine.