1-(4'-(1-methylethyl)biphenyl-4-yl)ethanone | 102714-30-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(4'-(1-methylethyl)biphenyl-4-yl)ethanone
• 英文别名: 4-Isopropyl-4'-acetylbiphenyl；1-[4-(4-propan-2-ylphenyl)phenyl]ethanone
• CAS: 102714-30-7
• 化学式: C₁₇H₁₈O
• mdl: MFCD12861071
• 分子量: 238.329
• InChiKey: XHCRNQRDKAUYPS-UHFFFAOYSA-N

物化性质

• 熔点：
  118-119.5 °C
• 沸点：
  137-138 °C(Press: 10-11 Torr)
• 密度：
  1.008±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.235
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-(4'-(1-methylethyl)biphenyl-4-yl)ethanone 生成 檀香(SANTALUMALBUM)提取物
  参考文献：
  名称：

  Fedosyuk,M.I. et al., Soviet progress in chemistry, 1970, vol. 36, # 10, p. 70 - 71

  摘要：

  DOI：
• 作为产物：
  描述：

  4-异丙基联苯 、 乙酸酐 在 三氯化铝 作用下， 以 氯苯 为溶剂， 生成 1-(4'-(1-methylethyl)biphenyl-4-yl)ethanone
  参考文献：
  名称：

  Fedosyuk,M.I. et al., Soviet progress in chemistry, 1970, vol. 36, # 10, p. 70 - 71

  摘要：

  DOI：

文献信息

• Copper (II) chloride / tetrabutylammonium bromide catalyzed oxidation of 2,6-diisopropylnaphthalene and 4,4′-diisopropylbiphenyl
  作者：Beata Orlińska、Jan Zawadiak

  DOI：10.2478/s11532-009-0134-8

  日期：2010.4.1

  The oxidation processes of 2,6-diisopropylnaphthalene and 4,4′-diisopropylbiphenyl with oxygen in the presence of a catalyst, composed of copper(II) chloride and tetrabutylammonium bromide, were investigated. It was found that, in essence, only one isopropyl group undergoes oxidation, and obtained mixtures contained mainly peroxide, alcohol, ketone and only small amounts of hydroperoxide.

  摘要 本文研究了在存在铜(II)氯化物和四丁基溴化铵催化剂的情况下，2,6-二异丙基萘和4,4'-二异丙基联苯与氧气的氧化过程。发现本质上只有一个异丙基基团发生氧化，并得到的混合物主要含有过氧化物、醇、酮和少量的过氧化氢。
• MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF
  申请人：Yang Bingwei Vera

  公开号：US20100063051A1

  公开（公告）日：2010-03-11

  Novel non-steroidal compounds are provided which are useful in treating diseases associated with modulation of the glucocorticoid receptor, AP-1, and/or NF-κB activity including inflammatory and immune diseases, obesity and diabetes having the structure of formula (I) an enantiomer, diastereomer, tautomer, solvate (e.g. a hydrate), or a pharmaceutically-acceptable salt, thereof, wherein: M is selected from alkyl, substituted alkyl, cycloalkyl, aryl, heterocyclo, and heteroaryl, provided that if M is alkyl then R 6 and R 7 taken together with the carbon atom to which they are both attached are selected from a group other than cycloalkyl; Q is selected from (i) hydrogen, C 1 -C 4 alkyl, and substituted C 1 -C 4 alkyl; or (ii) Q and R 6 are combined with the carbon atoms to which they are attached to form a 3- to 6-membered cycloalkyl; or (iii) Q and M a M are combined with the carbon atom(s) to which they are attached to form a 3- to 7-membered ring containing 1-2 heteroatoms which are independently selected from the group consisting of O, S, SO 2 , and N which ring may be optionally substituted with 0-2 R 5 groups or carbonyl; Z is selected from cycloalkyl, heterocyclo, aryl, or heteroaryl; and M a , Z a , R 1 , R 2 , R 3 , R 4 , R 6 , R 7 , and R 22 are as defined herein. Also provided are pharmaceutical compositions and methods of treating metabolic and inflammatory- or immune-associated diseases or disorders using said compounds.

  提供了一些新型非类固醇化合物，其在治疗与糖皮质激素受体、AP-1和/或NF-κB活性调节相关的疾病中非常有用，包括炎症和免疫性疾病、肥胖症和糖尿病，具有以下结构公式（I）的对映体、顺反异构体、互变异构体、溶剂化物（例如水合物）或其医药上可接受的盐，其中：M选自烷基、取代烷基、环烷基、芳基、杂环烷基和杂芳基，但如果M是烷基，则R6和R7与它们都连接的碳原子一起选自环烷基之外的一组；Q选自（i）氢、C1-C4烷基和取代的C1-C4烷基；或（ii）Q和R6与它们连接的碳原子结合形成3-到6-成员的环烷基；或（iii）Q和MaM与它们连接的碳原子结合形成1-2个杂原子（独立于O、S、SO2和N组成）的3-到7-成员的环，该环可以选择性地用0-2个R5基团或羰基取代；Z选自环烷基、杂环烷基、芳基或杂芳基；而Ma、Za、R1、R2、R3、R4、R6、R7和R22如本文所定义。还提供了制药组合物和使用所述化合物治疗代谢和炎症或免疫相关疾病或紊乱的方法。
• TISHCHENKO, I. G.;MEZHENTSEV, V. A.;NOVIKOV, L. S., BECTH. BELORUS. YH-TA, 1985, N 1, 21-25
  作者：TISHCHENKO, I. G.、MEZHENTSEV, V. A.、NOVIKOV, L. S.

  DOI：——

  日期：——
• US7968577B2
  申请人：——

  公开号：US7968577B2

  公开（公告）日：2011-06-28
• Fedosyuk,M.I. et al., Soviet progress in chemistry, 1970, vol. 36, # 10, p. 70 - 71
  作者：Fedosyuk,M.I. et al.

  DOI：——

  日期：——