4-(4-isobutylphenyl)butanoic acid | 1041514-31-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-(4-isobutylphenyl)butanoic acid
• 英文别名: 4-[4-(2-methylpropyl)phenyl]butanoic Acid
• CAS: 1041514-31-1
• 化学式: C₁₄H₂₀O₂
• mdl: MFCD11120107
• 分子量: 220.312
• InChiKey: BIQFDSJVVFHEED-UHFFFAOYSA-N

物化性质

• 沸点：
  345.0±11.0 °C(Predicted)
• 密度：
  1.019±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(4-isobutylphenyl)butanoic acid 在 吡啶 、 chromium(VI) oxide 、 sodium tetrahydroborate 、 Celite 、 三氟化硼乙醚 作用下， 以 二氯甲烷 为溶剂， 反应 1.5h， 生成 4-(4-(isobutyl)phenyl)butanaldehyde
  参考文献：
  名称：

  Structural optimization of 4-(2-chlorophenyl)-9-methyl-6H-thieno[3,2-f]-[1,2,4]triazolo[4,3-a][1,4]diazepines as antagonists for platelet activating factor: pharmacological contribution of substituents at the 2- and 6-positions of a condensed ring system

  摘要：

  A series of 4-(2-chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine derivatives bearing substituents at the 2- and 6-positions were synthesized, and evaluated in vitro for their inhibitory activity on rabbit platelet aggregation induced by platelet activating factor (PAF) and in vivo for their preventing effect on PAF-induced mortality in mice. The length of alkyl or arylalkyl side chain at the 2-position was responsible for enhancing the affinity for the PAF receptor. The simultaneous substitution at both the 2- and 6-positions resulted in a successful separation of the affinity for the PAF receptor from that for the benzodiazepine (BZ) receptor. Thus, (+/-)-4-(2-chlorophenyl)-2-[2-(4-isobutylphenyl)ethyl]-6,9-dimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine (Y-24180) was confirmed to be a specific antagonist for the PAF receptor and is currently under clinical trials.

  DOI：

  10.1016/0223-5234(96)85877-6
• 作为产物：
  描述：

  异丁基苯 在 aluminum (III) chloride 、 一水合肼 、 potassium hydroxide 作用下， 以 二氯甲烷 、 二乙二醇 为溶剂， 反应 14.0h， 生成 4-(4-isobutylphenyl)butanoic acid
  参考文献：
  名称：

  钯催化未活化 C(sp3)–H 和 C(sp2)–H 键的分子内交叉偶联

  摘要：

  直接 C-H/C-H 偶联是构建 C-C 键的一种有吸引力的方法，未活化的 C(sp 3 )-H 和 C(sp 2 )-H 键的交叉偶联具有挑战性，并且仍有待研究被调查。我们开发了 Pd 催化的惰性 C(sp 3 )-H 和 C(sp 2 )-H 键的分子内偶联。该反应通过邻甲基肟导向的芳基 C(sp 2 )-H 活化和随后的烷基 C(sp 3 )-H 裂解进行，生成 C(sp 2 ),C(sp 3 )-钯环作为关键中间体。最终产物形成二氢苯并呋喃和茚满。

  DOI：

  10.1021/acs.orglett.1c02567

文献信息

• [EN] OXAZOLIDINONE DERIVATIVES, PROCESS FOR THEIR PREPERATION AND THEIR USE AS ANTIMYCOBACTERIAL AGENTS<br/>[FR] DERIVES D'OXAZOLIDINONE, LEUR PROCEDE DE PREPARATION ET LEUR UTILISATION COMME AGENTS ANTIMYCOBACTERIENTS
  申请人：LUPIN LTD

  公开号：WO2004026848A1

  公开（公告）日：2004-04-01

  Novel compounds belonging to the class of oxazolidinones possessing potent antimycobacterial properties especially useful in the treatment of acid fast organisms such as Mycobacterium tuberculosis, Mycobacterium avium-intracellular complex, M. fortuitum and M. kansai. The compound and its pharmaceutically acceptable salts thereof act as antibacterial agents. Also disclosed is a method for inhibiting growth of mycobacterial cells a well as a method of treating mycobacterial conditions such as Mycobacterium tuberculoses, drug resistant Mycobacterium tuberculosis, Mycobacterium avium-intracellular complex, M. fortuitum and M. kansai, comprising administering an antimycobacterially effective amount of the said compound and/or pharmaceutically acceptable salts thereof. There is also disclosed a process for the manufacture of the said compound or its pharmaceutically acceptable salts.

  新型化合物属于噁唑烷酮类，具有强效抗分枝杆菌特性，特别适用于治疗酸快速生长的微生物，如结核分枝杆菌、分枝杆菌内复合体、堪萨斯分枝杆菌和康萨分枝杆菌。该化合物及其药学上可接受的盐作为抗菌剂。还公开了一种抑制分枝杆菌细胞生长的方法，以及治疗结核分枝杆菌病、耐药性结核分枝杆菌、分枝杆菌内复合体、堪萨斯分枝杆菌和康萨分枝杆菌等分枝杆菌疾病的方法，包括给予所述化合物和/或其药学上可接受的盐的抗分枝杆菌有效量。还公开了一种制造所述化合物或其药学上可接受的盐的方法。
• HETEROCYCLIC CETP INHIBITORS
  申请人：Salvati E. Mark

  公开号：US20070161685A1

  公开（公告）日：2007-07-12

  Compounds of formula Ia and Ib wherein A, B, C and R 1 are described herein.

  式Ia和Ib的化合物 其中A、B、C和R1 如本文所述。
• N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES
  申请人：Salvati Mark E.

  公开号：US20100041717A1

  公开（公告）日：2010-02-18

  Compounds of formula (Ia) and (Ib), wherein A, B, C, R 1 and R 14 are described herein.

  式(Ia)和(Ib)的化合物，其中A、B、C、R1和R14如本文所述。
• Eur. J. Med. Chem. 1996, 31, 683-692
  作者：

  DOI：——

  日期：——
• HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS
  申请人：Bristol-Myers Squibb Company

  公开号：EP1954668B1

  公开（公告）日：2011-09-28