137013-00-4

Basic information

• Product Name: (2E)-3-(3,4-DIETHOXYPHENYL)ACRYLIC ACID
• Synonyms: (2E)-3-(3,4-diethoxyphenyl)prop-2-enoic acid
• CAS NO: 137013-00-4
• Molecular Formula: C₁₃H₁₆O₄
• Molecular Weight: 236.26
• Mol File: 137013-00-4.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 390.1°Cat760mmHg
• Flash Point: 146.5°C
• Appearance: /
• Density: g/cm³
• Vapor Pressure: 8.72E-07mmHg at 25°C
• Refractive Index: 1.556
• CAS DataBase Reference: (2E)-3-(3,4-DIETHOXYPHENYL)ACRYLIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: (2E)-3-(3,4-DIETHOXYPHENYL)ACRYLIC ACID(137013-00-4)
• EPA Substance Registry System: (2E)-3-(3,4-DIETHOXYPHENYL)ACRYLIC ACID(137013-00-4)

Safety Data

• Hazardous Substances Data: 137013-00-4(Hazardous Substances Data)

Usage

General Description

The chemical "(2E)-3-(3,4-diethoxyphenyl)acrylic acid" is a compound with the molecular formula C14H16O4. It is a derivative of acrylic acid and contains a phenyl group with two ethoxy (C2H5O) groups attached. (2E)-3-(3,4-DIETHOXYPHENYL)ACRYLIC ACID is used in organic synthesis and pharmaceutical research, and it has potential applications in the development of new drug candidates. Its structure and properties make it suitable for investigating its interactions with biological targets, such as enzymes or receptors, and for designing new compounds with improved pharmacological properties. Additionally, it may have potential uses in materials science, particularly in the development of new polymers or coatings.

InChI:InChI=1/C13H16O4/c1-3-16-11-7-5-10(6-8-13(14)15)9-12(11)17-4-2/h5-9H,3-4H2,1-2H3,(H,14,15)/b8-6+

Upstream product

• 141-82-2 malonic acid 
• 2029-94-9 3,4-diethoxybenzaldehyde 

Downstream Products

• 137376-71-7 2-Dimethylaminomethyl-5,6-diethoxy-indan-1-one; hydrochloride 
• 79622-99-4 3-(3,4-diethoxyphenyl)propionic acid 

Relevant articles and documents

Synthesis, crystal structure, Hirshfeld surfaces analysis and anti-ischemic activity of cinnamide derivatives

Two cinnamide derivatives, namely, (E)-1-(4-(bis(4-methylphenyl)- methyl)piperazin-1-yl)-3-(3,4-diethoxyphenyl)prop-2-en-1-one (5) and (E)-1-(4-(bis- (4-fluorophenyl)methyl)piperazin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one (6), have been synthesized and characterized by IR spectra, High resolution mass spectra, 1H NMR spectra, 13C NMR spectra. The compound 5 is a novel compound and has never been reported in the literature. Their crystal structures were studied by single-crystal X-ray diffraction. They all crystallize in the monoclinic system. The single-crystal X-ray revealed that compound 5 has infinite X-shaped 1-D polymeric chains structure and compound 6 has a layered 3-D structure by intermolecular interactions. Hirshfeld surface analysis demonstrated the presence of H?H, O?H, C?H, F?H, C[sbnd]H?π and π?π intermolecular interactions. In addition, the MTT assay results indicated that the compounds 5 and 6 display effective activities against neurotoxicity which is induced by glutamine in PC12 cells. The in vivo experiment indicated that the compound 6 has a good protective effect on cerebral infarction.