5101-00-8

Basic information

• Product Name: 4-(3,4,5-TRIMETHOXYPHENYL)-4-OXOBUTYRIC ACID
• Synonyms: 4-(3,4,5-TRIMETHOXYPHENYL)-4-OXOBUTYRIC ACID;4-keto-4-(3,4,5-trimethoxyphenyl)butyric acid;4-oxo-4-(3,4,5-trimethoxyphenyl)butanoic acid
• CAS NO: 5101-00-8
• Molecular Formula: C₁₃H₁₆O₆
• Molecular Weight: 268.27
• Mol File: 5101-00-8.mol
• Article Data: 4

Chemical Properties

• Melting Point: 121-122 °C
• Boiling Point: 449.9°Cat760mmHg
• Flash Point: 169.7°C
• Appearance: /
• Density: 1.215g/cm³
• Vapor Pressure: 7.04E-09mmHg at 25°C
• Refractive Index: 1.52
• PKA: 4.44±0.17(Predicted)
• CAS DataBase Reference: 4-(3,4,5-TRIMETHOXYPHENYL)-4-OXOBUTYRIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(3,4,5-TRIMETHOXYPHENYL)-4-OXOBUTYRIC ACID(5101-00-8)
• EPA Substance Registry System: 4-(3,4,5-TRIMETHOXYPHENYL)-4-OXOBUTYRIC ACID(5101-00-8)

Safety Data

• Hazardous Substances Data: 5101-00-8(Hazardous Substances Data)

Usage

General Description

4-(3,4,5-trimethoxyphenyl)-4-oxobutyric acid is a chemical compound with the chemical formula C13H16O6. It is a derivative of the compound 4-oxobutyric acid, with the addition of a phenyl group substituted with three methoxy (CH3-O-) groups. 4-(3,4,5-TRIMETHOXYPHENYL)-4-OXOBUTYRIC ACID is commonly used in organic synthesis and pharmaceutical research due to its ability to modify and enhance the properties of other chemical compounds. It has been studied for its potential use in anti-inflammatory and antioxidant treatments, and has shown promising results in various biological assays. Additionally, its unique structural properties make it of interest in the development of novel drugs and materials.

InChI:InChI=1/C13H16O6/c1-17-10-6-8(9(14)4-5-12(15)16)7-11(18-2)13(10)19-3/h6-7H,4-5H2,1-3H3,(H,15,16)

Upstream product

• 3044-56-2 ethyl trimethoxybenzoyl acetate 
• 105-36-2 ethyl bromoacetate 
• 141-52-6 sodium ethanolate 
• 94201-97-5 (E)-4-Oxo-4-(3,4,5-trimethoxy-phenyl)-but-2-enoic acid 
• 1136-86-3 methyl (3,4,5-trimethoxyphenyl) ketone 
• 118-41-2 Eudesmic acid 
• 42924-22-1 3-diethylamino-1-(3,4,5-trimethoxy-phenyl)-propan-1-one 
• 180900-30-5 2-(3,5-Bis-benzyloxy-4-methoxy-benzoyl)-4-oxo-4-(3,4,5-trimethoxy-phenyl)-butyric acid ethyl ester 
• 180900-29-2 2-(3-Benzyloxy-4,5-dimethoxy-benzoyl)-4-oxo-4-(3,4,5-trimethoxy-phenyl)-butyric acid ethyl ester 
• 64-17-5 ethanol 
• 135595-20-9 4-oxo-4-(3,4,5-trimethoxy-phenyl)-butyronitrile 

Relevant articles and documents

Synthesis and biological evaluations of 1,2-diaryl pyrroles as analogues of combretastatin A-4

A series of novel 1,2-diaryl pyrroles as analogues of combretastatin A-4 (CA-4, 1a) were synthesized and evaluated for their antitumour potential against three cancer cell lines. Most compounds exhibited growth inhibition against all of the cancer cell lines. Compound 7q not only exhibited prominent antitumour efficacy with IC50 values of 0.390 μm in SGC-7901, 0.070 μm in HT-1080 and 0.045 μm in KB cell lines but also showed low activity with IC50 values of 30.08 μm in normal L929 cell line. Moreover, compound 7q inhibited tubulin polymerization into microtubules and caused microtubule destabilization. A molecular docking study of 7q was performed to determine its binding mode at the colchicine site in the tubulin dimer. 1,2-Diaryl pyrroles as combretastatin A-4 analogues were synthesized and evaluated for anti-proliferative activities. Compound 7q exhibited antitubulin activity.

Asymmetric hydrogenation method of a ketonic compound and derivative

The present invention relates to a process for the asymmetric hydrogenation of a ketonic compound and derivative. The invention relates to the use of optically active metal complexes as catalysts for the asymmetric hydrogenation of a ketonic compound and derivative. The process for the asymmetric hydrogenation of a ketonic compound and derivative is characterized in that the asymmetric hydrogenation of said compound is carried out in the presence of an effective amount of a metal complex comprising as ligand an optically active diphosphine corresponding to one of the following formulae: STR1