155270-98-7

Basic information

• Product Name: 8-[(1E)-2-(3,4-Dimethoxyphenyl)ethenyl]-1,3-diethyl-3,9-dihydro-1H-purine-2,6-dione
• Synonyms: 8-[(1E)-2-(3,4-Dimethoxyphenyl)ethenyl]-1,3-diethyl-3,9-dihydro-1H-purine-2,6-dione;(E)-8-[2-(3,4-diMethoxyphenyl)vinyl)-1,3-diethyl-3,7-dihydropurine-2,6-dione;(E)-8-(3,4-diMethoxystyryl)-1,3-diethyl-1H-purine-2,6(3H,7H)-dione;(E)-8-(3,4-dimethoxystyryl)-1,3-diethyl-3,7-dihydro-1H-purin-2,6-dione;(E)-8-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-3,7-dihydro-1H-purine-2,6-dione;8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione
• CAS NO: 155270-98-7
• Molecular Formula: C₁₉H₂₂N₄O₄
• Molecular Weight: 370.4
• Mol File: 155270-98-7.mol
• Article Data: 10

Chemical Properties

• Melting Point: 267 °C(Solv: N,N-dimethylformamide (68-12-2))
• Boiling Point: 612.9°Cat760mmHg
• Flash Point: 324.5°C
• Appearance: /
• Density: 1.280
• Vapor Pressure: 5.85E-15mmHg at 25°C
• Refractive Index: 1.631
• PKA: 7.98±0.70(Predicted)
• CAS DataBase Reference: 8-[(1E)-2-(3,4-Dimethoxyphenyl)ethenyl]-1,3-diethyl-3,9-dihydro-1H-purine-2,6-dione(CAS DataBase Reference)
• NIST Chemistry Reference: 8-[(1E)-2-(3,4-Dimethoxyphenyl)ethenyl]-1,3-diethyl-3,9-dihydro-1H-purine-2,6-dione(155270-98-7)
• EPA Substance Registry System: 8-[(1E)-2-(3,4-Dimethoxyphenyl)ethenyl]-1,3-diethyl-3,9-dihydro-1H-purine-2,6-dione(155270-98-7)

Safety Data

• Hazardous Substances Data: 155270-98-7(Hazardous Substances Data)

Usage

General Description

The chemical compound "8-[(1E)-2-(3,4-Dimethoxyphenyl)ethenyl]-1,3-diethyl-3,9-dihydro-1H-purine-2,6-dione" is a synthetic derivative of the purine molecule, containing a diethyl and a dimethoxyphenyl group. 8-[(1E)-2-(3,4-Dimethoxyphenyl)ethenyl]-1,3-diethyl-3,9-dihydro-1H-purine-2,6-dione is a purine analog, potentially exhibiting pharmacological properties similar to those of natural purines. It may have applications in pharmaceutical research and drug development, potentially serving as a lead compound for the synthesis of new drugs with therapeutic effects. The specific properties and potential uses of this compound would require further study and evaluation in the fields of chemistry and pharmacology.

InChI:InChI=1/C19H22N4O4/c1-5-22-17-16(18(24)23(6-2)19(22)25)20-15(21-17)10-8-12-7-9-13(26-3)14(11-12)27-4/h7-11H,5-6H2,1-4H3,(H,20,21)/b10-8+

Upstream product

• 52998-22-8 5,6-diamino-1,3-diethyluracil 
• 14737-89-4 3,4-dimethoxy-trans-cinnamic acid 
• 39856-08-1 (E)-3,4-dimethoxycinnamic chloride 
• 634-95-7 N,N-diethylurea 
• 58045-88-8 3,4-dimethoxycinnamaldehyde 
• 41740-15-2 6-amino-1,3-diethyluracil 
• 89073-60-9 6-amino-1,3-diethyl-5-nitroso-1H,3H-pyrimidine-2,4-dione 
• 187393-68-6 (E)-N-(6-amino-1,3-diethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3-(3,4-dimethoxyphenyl)propenamide 

Downstream Products

• 606080-73-3 (Z)-1,3-diethyl-8-(3,4-dimethoxystyryl)-7-methylxanthine 
• 155270-99-8 istradefylline 

Relevant articles and documents

A Iraq curved theophylline preparation of intermediate

The invention relates to a preparation method of an istradefylline intermediate, which comprises the following steps: by using (E)-1,3-diethyl-6-amino-5-(3,4-dimethoxyphenylacryloyl)amino-uracil (YQ-1) as a raw material and 1,4-dioxane as a solvent, heating under the alkaline condition of a NaOH water solution to perform condensation and cyclization to generate (E)-8-[2-(3,4-dimethoxyphenyl)vinyl]-1,3-diethyl-3,7-dihydro-1H-purinyl-2,6-dione (YQ-2), and carrying out rotary evaporation, acid regulation and vacuum filtration to obtain a YQ-2 crude product; and by using toluene as a solvent, recrystallizing the YQ-2 crude product to obtain the YQ-2 refined product. The method has the advantages of simple route, accessible raw materials and mild conditions, and is convenient to operate; the total yield is greater than 85%, and the purity is up to higher than 97%; and thus, the method is suitable for scale-up production.

Istradefylline raw material drug and preparation method thereof

The invention relates to an istradefylline raw material drug and a preparation method thereof. Specifically, the invention relates to an istradefylline raw material drug. A compound shown in formula III is not higher than 0.5% and is a medicine preparation consisting of the istradefylline raw material drug and a pharmacologically acceptable carrier and/ or diluent. The raw material drug and the preparation thereof have better safety, effectiveness and stability. The formula III is shown in the description.

An efficient route to xanthine based A2A adenosine receptor antagonists and functional derivatives

A one-pot route to 8-substituted xanthines has been developed from 5,6-diaminouracils and carboxaldehydes. Yields are good and the process applicable to a range of substrates including a family of A2A adenosine receptor antagonists. A new route to the KW-6002 family of antagonists is presented including a pro-drug variant, and application to related image contrast agents developed.