isopropyl 4-isopropylbenzoate | 116496-20-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: isopropyl 4-isopropylbenzoate
• 英文别名: 4-isopropyl-benzoic acid isopropyl ester；4-Isopropyl-benzoesaeure-isopropylester；Propan-2-yl 4-propan-2-ylbenzoate
• CAS: 116496-20-9
• 化学式: C₁₃H₁₈O₂
• mdl: MFCD20760874
• 分子量: 206.285
• InChiKey: JPYNQLQNDWXACU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.461
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  i-propyl 4-dimethylaminobenzoate 在 iron(III)-acetylacetonate 作用下， 以 四氢呋喃 、 N-甲基吡咯烷酮 、 二氯甲烷 为溶剂， 反应 4.17h， 生成 isopropyl 4-isopropylbenzoate
  参考文献：
  名称：

  Iron-catalyzed cross-coupling of aryltrimethylammonium triflates and alkyl Grignard reagents

  摘要：

  Fe(acac)(3) effectively catalyzes reaction of aryltrimethylammonium triflates with beta-hydrogen-containing primary or secondary alkyl Grignard reagents in a mixed solvent of THF and NMP at room temperature. A series of functional groups are tolerated under the reaction conditions. (c) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.09.039

文献信息

• Amino-aryl-benzamide compounds and methods of use thereof
  申请人：HEPANOVA, INC.

  公开号：US11000491B2

  公开（公告）日：2021-05-11

  A method for the treatment and/or reduction of nonalcoholic fatty liver disease (NAFLD) and nonalcoholic steatohepatitis (NASH) is disclosed. The method uses active amino-aryl-benzamide compounds and methods for the preparation thereof.

  本发明公开了一种治疗和/或减轻非酒精性脂肪肝（NAFLD）和非酒精性脂肪性肝炎（NASH）的方法。 该方法使用活性氨基芳基苯甲酰胺化合物及其制备方法。
• US20140274988A1
  申请人：——

  公开号：US20140274988A1

  公开（公告）日：2014-09-18
• THERAPEUTIC COMPOUNDS AND USES THEREOF
  申请人：GENENTECH, INC.

  公开号：US20170275289A1

  公开（公告）日：2017-09-28

  The present invention relates to methods for treating PCAF and GCN5 mediated disorders using a compound of formula (I) or a pharmaceutically acceptable salt thereof: wherein ring A, R 1 , R 3 , R 4 , R 5 , and each R e have any of the values defined in the specification. Also included are novel compounds of Formula (I) and salts thereof, as well as pharmaceutical compositions comprising a compound of formula (I) or a pharmaceutically acceptable salt thereof.
• DRUG COMBINATIONS COMPRISING A DGAT INHIBITOR AND A PPAR-AGONIST
  申请人：Janssen Pharmaceutica NV

  公开号：US20180028660A1

  公开（公告）日：2018-02-01

  The present invention relates to combinations of a DGAT inhibitor and a peroxisome proliferator-activator receptor (PPAR) agonist or a prodrug thereof. The invention further relates to methods for preparing such combinations, pharmaceutical compositions comprising said combinations as well as the use as a medicament of said combinations. The present invention also relates to novel DGAT inhibitors. The invention further relates to methods for preparing such compounds, pharmaceutical compositions comprising said compounds as well as the use as a medicament of said compounds.
• US9133225B2
  申请人：——

  公开号：US9133225B2

  公开（公告）日：2015-09-15