α-(2-oxocyloheptyl)acetophenone | 54669-79-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: α-(2-oxocyloheptyl)acetophenone
• 英文别名: 2-Phenacyl-cycloheptanon；2-phenacylcycloheptanone；Cycloheptanone, 2-(2-oxo-2-phenylethyl)-；2-phenacylcycloheptan-1-one
• CAS: 54669-79-3
• 化学式: C₁₅H₁₈O₂
• 分子量: 230.307
• InChiKey: RYFPHAYLPBOGTC-UHFFFAOYSA-N

物化性质

• 熔点：
  42-44 °C
• 沸点：
  373.6±15.0 °C(Predicted)
• 密度：
  1.057±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  α-(2-oxocyloheptyl)acetophenone 在 sodium hydride 作用下， 以 1,4-二氧六环 、 paraffin 为溶剂， 反应 2.0h， 生成 2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrole
  参考文献：
  名称：

  Nagarajan, K.; Talwalker, P. K.; Shah, R. K., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1985, vol. 24, p. 98 - 111

  摘要：

  DOI：
• 作为产物：
  描述：

  2-(2-hydroxy-2-phenylethyl)cycloheptanone 生成 α-(2-oxocyloheptyl)acetophenone
  参考文献：
  名称：

  SUGINOME, HIROSHI;YAMADA, SHINJI, TETRAHEDRON, 43,(1987) N 15, 3371-3386

  摘要：

  DOI：

文献信息

• Method of treatment with and compositions containing condensed pyrroles
  申请人：American Hoechst Corporation

  公开号：US03931407A1

  公开（公告）日：1976-01-06

  Novel N-phenylpyrroles are disclosed that are effective in the treatment of inflammation and pain in mammals and have the formula ##SPC1## Wherein R is hydrogen, alkyl of one to six carbon atoms, thienyl, phenyl or phenyl substituted by halogen, trifluoromethyl, alkyl of one to six carbon atoms, alkoxy of one to six carbon atoms, alkanoyloxy of one to six carbon atoms, alkanoylamino of one to six carbon atoms, nitro, cyano, hydroxyl, amino or phenyl; R.sub.1 is carboxyl, alkoxycarbonyl of two to seven carbon atoms, carbamoyl, N-alkylcarbamoyl of two to seven carbon atoms, N,N-dialkylcarbamoyl of three to seven carbon atoms, hydroxycarbamoyl or dialkylphosphinylalkoxycarbonyl of four to 10 carbon atoms; R.sub.2 is hydrogen, hydroxyl, mercapto, halogen, trifluoromethyl, alkyl of one to six carbon atoms, alkoxy of one to six carbon atoms, alkanoyloxy of one to six carbon atoms, alkylthio of one to six carbon atoms, amino, alkylamino of one to six carbon atoms, dialkylamino of two to six carbon atoms, alkanoylamino of one to six carbon atoms, alkanoylthio of one to six carbon atoms, thiocarbamoyloxy, alkylthiocarbamoyloxy of two to six carbon atoms, dialkylthiocarbamoyloxy of three to seven carbon atoms, carbamoylthio, alkylcarbamoylthio of one to six carbon atoms, dialkylcarbamoylthio of two to seven carbon atoms, carbamoylamino, alkylcarbamoylamino of two to six carbon atoms or dialkylcarbamoylamino of three to seven carbon atoms; R.sub.3 is hydrogen, alkanoyl of one to six carbon atoms, or phenyl; X is alkylene of three to five carbon atoms, alkylene of three to five carbon atoms substituted by alkyl or alkoxy of one to six carbon atoms, divinylene, divinylene substituted by alkyl of one to six carbon atoms, ##SPC2## Wherein D is hydrogen, alkyl of one to six carbon atoms, alkoxy of one to six carbon atoms, alkanoyloxy of one to six carbon atoms, alkanoylamino of one to six carbon atoms, halogen, amino, nitro or trifluoromethyl; and n is 1 or 2.

  揭示了对哺乳动物的炎症和疼痛治疗有效的新型N-苯基吡咯类化合物，其化学式为##SPC1##其中R为氢、一至六个碳原子的烷基、噻吩基、苯基或被卤素、三氟甲基、一至六个碳原子的烷基、一至六个碳原子的烷氧基、一至六个碳原子的烷酰氧基、一至六个碳原子的烷酰胺基、硝基、氰基、羟基、氨基或苯基取代的苯基；R.sub.1为羧基、二至七个碳原子的烷氧羰基、氨基甲酰基、二至七个碳原子的N-烷基氨基甲酰基、三至七个碳原子的N,N-二烷基氨基甲酰基、羟基氨基甲酰基或四至十个碳原子的二烷氧羰基磷基；R.sub.2为氢、羟基、巯基、卤素、三氟甲基、一至六个碳原子的烷基、一至六个碳原子的烷氧基、一至六个碳原子的烷酰氧基、一至六个碳原子的烷硫基、氨基、一至六个碳原子的烷基氨基、二至六个碳原子的二烷基氨基、一至六个碳原子的烷酰胺基、一至六个碳原子的烷硫酰基、硫代羰氨氧基、二至六个碳原子的烷硫代羰氨氧基、三至七个碳原子的二烷硫代羰氨氧基、硫代羰氨硫基、一至六个碳原子的烷硫代羰氨硫基、二至七个碳原子的二烷硫代羰氨硫基、羰胺基、二至六个碳原子的烷羰胺基或三至七个碳原子的二烷羰胺基；R.sub.3为氢、一至六个碳原子的烷酰基或苯基；X为三至五个碳原子的烷基、被一至六个碳原子的烷基或烷氧基取代的三至五个碳原子的烷基、二烯基、被一至六个碳原子的烷基取代的二烯基，##SPC2##其中D为氢、一至六个碳原子的烷基、一至六个碳原子的烷氧基、一至六个碳原子的烷酰氧基、一至六个碳原子的烷酰胺基、卤素、氨基、硝基或三氟甲基；n为1或2。
• Carboxyarylindoles as nonsteroidal antiinflammatory agents
  作者：V. Brian Anderson、Marc N. Agnew、Richard C. Allen、Jeffrey C. Wilker、Howard B. Lassman、William J. Novick

  DOI：10.1021/jm00224a023

  日期：1976.2

  An extensive series of carboxyarylindoles has been evaluated for antiinflammatory activity in the carrageenin paw edema assay. The requirements for optimal antiinflammatory activity in this series are relatively specific: a central pyrrole nucleus with (a) a 3-carboxy-4-hydroxyphenyl moiety substituted directly on the nitrogen, (b) a 2-phenyl group (R2) with a substituent of low electronegativity,

  已经在角叉菜胶爪水肿试验中评估了一系列羧芳基吲哚的抗炎活性。此系列中最佳抗炎活性的要求是相对特定的：中心吡咯核具有（a）直接在氮上取代的3-羧基-4-羟基苯基部分，（b）具有取代基的2-苯基（R2）低电负性，（c）在3位（R3）上不存在取代基，和（d）在4,5位（X）上稠合的系统，该系统是亲脂的，准平面的，并且不与N发生空间相互作用-苯基。选择了一种衍生物3-（3-羧基-4-羟基苯基）-2-苯基-4,5-二氢-3H-苯并[e]吲哚（42）进行进一步研究。
• New general synthesis of medium ring-lactones a regioselective β-scission of alkoxyl radicals generated from catacondensed lactols
  作者：Hiroshi Suginome、Shinji Yamada

  DOI：10.1016/s0040-4020(01)81628-8

  日期：1987.1

  describe a new general method for the synthesis of medium-sized lactones based on ring-enlargement via a regioselective β-scission of alkoxyl radicals generated by photolysis from the hypoiodites of several catacondensed lactols. The syntheses of 9-membered lactones from 65 fused lactols, 10-membered lactones including a naturally occurring lactone, phoracantholide I, from 66 or 75 fused lactols, and

  我们描述了一种新的合成中型内酯的新通用方法，该方法是通过环加成反应，从几个催化缩合的内酯的次碘酸盐进行光解而生成的烷氧基自由基区域选择性β-断环。由65个稠合的内醇合成9元内酯，包括天然内酯的10元内酯，由66个或75个稠合的内醇合成的酞酸酯I和由76个或85个稠合的内醇合成的11元内酯。本方法。这种新方法可能具有应用于较小或较大内酯合成的潜力。
• Substituted N-aminoalkylpyrroles
  申请人：American Hoechst Corporation

  公开号：US03997557A1

  公开（公告）日：1976-12-14

  Substituted N-aminoalkylpyrroles of the formula: ##STR1## IN WHICH X, Z, R.sub.1, -R.sub.5 and n are as defined below, and their physiologically tolerable acid addition salts are disclosed to have antiarrhythmic, central nervous system depressant, antiinflammatory and antihypertensive activity. A process for their preparation is also disclosed.

  给出的结果如下：公式为：##STR1## 其中X、Z、R.sub.1、-R.sub.5和n的定义如下，以及它们的生理耐受性酸盐被披露具有抗心律失常、中枢神经系统抑制、抗炎和降压活性。还披露了它们的制备方法。
• NAGARAJAN, K.;TALWALKER, P. K.;SHAH, R. K.;MEHTA, S. R.;NAYAK, G. V., INDIAN J. CHEM., 1985, 24, N 1, 98-111
  作者：NAGARAJAN, K.、TALWALKER, P. K.、SHAH, R. K.、MEHTA, S. R.、NAYAK, G. V.

  DOI：——

  日期：——