4-环己基-gamma-氧代-苯丁酸 | 35288-13-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 4-环己基-gamma-氧代-苯丁酸
• 中文别名: 4-(4-环己基苯基)-4-氧亚基丁酸
• 英文名称: 3-(4-cyclohexylbenzoyl)propionic acid
• 英文别名: 4-(4-cyclohexyl-phenyl)-4-oxo-butyric acid；4-(4-Cyclohexyl-phenyl)-4-oxo-buttersaeure；4-cyclohexyl-χ-oxobenzenebutyric acid；4-(p-Cyclohexylphenyl)-4-oxo-butanoic acid；4-(4-cyclohexylphenyl)-4-oxobutanoic Acid；4-(4-cyclohexylphenyl)-4-oxobutyric acid
• CAS: 35288-13-2
• 化学式: C₁₆H₂₀O₃
• mdl: MFCD01656909
• 分子量: 260.333
• InChiKey: QFDYKCAHHQKPSB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2918300090

反应信息

• 作为反应物：
  描述：

  4-环己基-gamma-氧代-苯丁酸 在 乙酸酐 作用下， 反应 1.0h， 以75%的产率得到5-(4-cyclohexylphenyl)furan-2(3H)-one
  参考文献：
  名称：

  Tamura, Yasumitsu; Shirouchi, Yoshiaki; Minamikawa, Jun-ichi, Chemical and pharmaceutical bulletin, 1985, vol. 33, # 2, p. 551 - 556

  摘要：

  DOI：
• 作为产物：
  描述：

  环己烯 在 三氯化铝 、 硫酸 、 硝基苯 作用下， 生成 4-环己基-gamma-氧代-苯丁酸
  参考文献：
  名称：

  Buu-Hoi; Cagniant, Bulletin de la Societe Chimique de France, 1944, vol. <5> 11, p. 127,133

  摘要：

  DOI：

文献信息

• Chemical process for the preparation of esters of substituted cyclopropyl caboxylic acids
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0251466A3

  公开（公告）日：1989-05-03

  A process for the preparation of a compound of the general formula (III): wherein R¹, R², R⁵ and R⁶ each represent a hydrogen atom or an alkyl group containing from l to 4 carbon atoms, R is an alkyl group and X and Y each represent a hydrogen atom, a halogen atom or an alkyl, cycloalkyl, alkenyl, alkynyl, aryl, aralkyl, alkoxy or aryloxy group, the process comprising the elimination of the molecule HZ, with a simultaneous ring closure, from a compound of the general formula (IV): wherein R¹, R², R⁵ and R⁶ R, X and Y have the same meanings as before and Z is a leaving group, for example a chlorine or bromine atom or a tosylate or mesylate group.

  制备一般式（III）化合物的过程： 其中R¹、R²、R⁵和R⁶分别代表氢原子或含有1至4个碳原子的烷基基团，R为烷基基团，X和Y分别代表氢原子、卤原子或烷基、环烷基、烯基、炔基、芳基、芳基烷基、烷氧基或芳氧基，该过程包括从一般式（IV）化合物中消除分子HZ，并同时进行环闭合，其中R¹、R²、R⁵和R⁶、R、X和Y的含义与之前相同，Z是一个离去基团，例如氯或溴原子或对甲苯磺酸基或甲磺酸基。
• Fenbufen, a New Anti-Inflammatory Analgesic: Synthesis and Structure-Activity Relationships of Analogs
  作者：Ralph G. Child、Arnold C. Osterberg、Adolph E. Sloboda、Andrew S. Tomcufcik

  DOI：10.1002/jps.2600660403

  日期：1977.4

  hundred analogs of fenbufen were prepared and tested using the carrageenan, polyarthritis, and UV erythema anti-inflammatory tests and the 2-phenyl-1,4-benzoquinone writhing and inflamed paw pressure analgesic tests. Only three retained the same full spectrum of activity as fenbufen: dl-4-(4-biphenylyl)-4-hydroxybutyric acid, dl-4-(4-biphenylyl)-1,4-butanediol, and 4-biphenylacetic acid. Fenbufen had the

  制备了一百个芬布芬类似物，并使用角叉菜胶，多关节炎和紫外线红斑抗炎试验以及2-苯基-1,4-苯醌扭转和发炎的爪压镇痛试验进行了测试。只有三个保留了与芬布芬相同的全范围活性：dl-4-（4-联苯基）-4-羟基丁酸，dl-4-（4-联苯基）-1,4-丁二醇和4-联苯乙酸。在这五项测试中，芬布芬的活性谱与阿司匹林，苯基丁a和消炎痛相同。此外，剂量反应衍生的药效在所有五个试验中均显示出芬布芬比阿司匹林更有效，并且至少与苯基丁a同样有效。两种相关化合物通常相似。
• 4-Imidazole derivatives of benzyl and restricted benzyl sulfonamides, sulfamides, ureas, carbamates, and amides and their use
  申请人：——

  公开号：US20030073850A1

  公开（公告）日：2003-04-17

  Compounds of formula I 1 are useful in treating diseases prevented by or ameliorated with &agr; 1A agonists. Also disclosed are &agr; 1A agonist compositions and a method of activating &agr; 1 adrenoceptors in a mammal.

  公式I的化合物在治疗由&agr; 1A激动剂预防或改善的疾病中很有用。还公开了&agr; 1A激动剂组合物和在哺乳动物中激活&agr; 1肾上腺素受体的方法。
• Oxidative 1,2-aryl migration of alkyl aryl ketones by using diacetoxyphenyliodine: Syntheses of arylacetate, 2-arylpropanoate, and 2-arylsuccinate.
  作者：YASUMITSU TAMURA、TAKAYUKI YAKURA、YOSHIAKI SHIROUCHI、JUNICHI HARUTA

  DOI：10.1248/cpb.33.1097

  日期：——

  Oxidative 1, 2-aryl migration of alky aryl ketones (2, 5, and 8) to 2-arylalkanoates (3, 6, and 9) was effected by using diacetoxyphenyliodine (1). The migration was successfully applied to the preparation of the antiinflammatory agents ibuprofen (15) and clidanac (17).

  通过使用二乙酰氧基苯基碘（1），实现了烷基芳基酮（2、5和8）的氧化性1,2-芳基迁移，转化为2-芳基烷酸酯（3、6和9）。这一迁移方法成功应用于抗炎药物布洛芬（15）和克利达那克（17）的制备。
• Phosphonic acid compounds, their production and use
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US05716944A1

  公开（公告）日：1998-02-10

  The present invention relates to a compound of the general formula (I): ##STR1## wherein ring A is a benzene ring that may be substituted; Y is a divalent group as a constituent member of ring B forming a 5- to 8-membered ring; Q.sub.1 is a group of the formula --X--P(O)(OR.sup.1)(OR.sup.2) wherein X is a bond or a divalent group; R.sup.1 and R.sup.2, identical or different, are hydrogen or a lower alkyl, or may be combined together to form a ring; Q.sub.2 is hydrogen, a hydrocarbon group that may be substituted or a heterocyclic group that may be substituted; and the group of the formula --CON(Q.sub.1)(Q.sub.2) is connected to the a- or b-position carbon atom, or a salt thereof, which is useful as prophylactic and therapeutic agents of various metabolic bone diseases such as osteoporosis.

  本发明涉及一种具有一般式(I)的化合物：##STR1## 其中环A是可能被取代的苯环；Y是构成5-到8-成员环的环B的一个成员的二价基团；Q.sub.1是具有式--X--P(O)(OR.sup.1)(OR.sup.2)的基团，其中X是键或二价基团；R.sup.1和R.sup.2，相同或不同，是氢或较低的烷基，或可结合在一起形成环；Q.sub.2是氢、可能被取代的烃基或可能被取代的杂环基团；以及具有式--CON(Q.sub.1)(Q.sub.2)的基团连接到a-或b-位置的碳原子，或其盐，其作为各种代谢性骨疾病如骨质疏松症的预防和治疗剂。