5948-71-0

Basic information

• Product Name: 4-(4-Chloro-phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester
• Synonyms: 4-(4-Chloro-phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester;4-(4-chlorophenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-5-Pyrimidinecarboxylic acid ethyl ester;Ethyl 4-(4-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate;ethyl 4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate;-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate;Ethyl 4-(4-chlorophenyl)
• CAS NO: 5948-71-0
• Molecular Formula: C₁₄H₁₅ClN₂O₃
• Molecular Weight: 294.73
• Mol File: 5948-71-0.mol
• Article Data: 123

Chemical Properties

• Melting Point: 213-215 °C
• Boiling Point: 411.782°C at 760 mmHg
• Flash Point: 202.839°C
• Appearance: /
• Density: 1.257g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.548
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 11.16±0.70(Predicted)
• CAS DataBase Reference: 4-(4-Chloro-phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(4-Chloro-phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester(5948-71-0)
• EPA Substance Registry System: 4-(4-Chloro-phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester(5948-71-0)

Safety Data

• Hazardous Substances Data: 5948-71-0(Hazardous Substances Data)

Usage

Description

4-(4-Chloro-phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester is a chemical compound that belongs to the class of pyrimidine derivatives. It is characterized by its molecular structure, which includes a pyrimidine ring fused with a tetrahydro ring and an ester functional group. 4-(4-Chloro-phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester is known for its potential applications in various fields, particularly in the synthesis of pharmaceuticals and other organic compounds.

Uses

Used in Organic Synthesis:
4-(4-Chloro-phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester is used as an organic synthesis intermediate for the preparation of various organic compounds. Its unique molecular structure allows it to serve as a building block in the synthesis of complex molecules, which can be further modified or functionalized to achieve desired properties.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 4-(4-Chloro-phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester is used as a pharmaceutical intermediate. It plays a crucial role in the development of new drugs, particularly those targeting specific biological pathways or receptors. Its structural diversity and versatility make it a valuable component in the design and synthesis of novel therapeutic agents.
Used in Laboratory Research and Development:
4-(4-Chloro-phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester is also utilized in laboratory research and development processes. It serves as a valuable tool for chemists and researchers to study the properties and reactivity of pyrimidine derivatives, as well as to explore new synthetic routes and methodologies. 4-(4-Chloro-phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester can be used to investigate various aspects of chemical reactions, such as reaction mechanisms, stereochemistry, and selectivity.
Used in Chemical Production Process:
In the chemical production process, 4-(4-Chloro-phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester is employed as a key intermediate in the synthesis of various chemicals and materials. Its presence in the production process can lead to the development of new products with improved properties, such as enhanced stability, reactivity, or bioavailability. Additionally, it can contribute to the optimization of existing chemical processes, resulting in more efficient and cost-effective production methods.

Synthesis

Substituted benzaldehyde (6.617×10-3mmol; 1.0 equiv.) is mixed with slightly excess equivalent of urea (6.749×10-3mmol; 1.02 equiv.) and ethyl acetoacetate (6.749×10-3mmol; 1.02 equiv.) in the presence of catalytic concentration 1.0×10-4mmol of our synthesized dimeric pyridinium salts along with dry MeCN at ambient reaction condition from 6-33 min. reaction condition. Yield: 92%

InChI:InChI=1/C14H15ClN2O3/c1-3-20-13(18)11-8(2)16-14(19)17-12(11)9-4-6-10(15)7-5-9/h4-7,12H,3H2,1-2H3,(H2,16,17,19)

Upstream product

• 141-97-9 ethyl acetoacetate 
• 104-88-1 4-chlorobenzaldehyde 
• 57-13-6 urea 
• 17356-08-0 thiourea 
• 5315-86-6 4-chlorobenzaldehyde semicarbazone 
• 1522-29-8 (Z)-ethyl 3-hydroxybut-2-enoate 
• 55718-52-0 1,1'-((4-chlorophenyl)methylene)diurea 
• 873-76-7 para-Chlorobenzyl alcohol 
• 4254-20-0 4,4'-dichlorobenzoin 
• 37580-81-7 1,2-bis(4-chlorophenyl)-1,2-ethandiol 
• 3395-81-1 4-chlorobenzaldehyde dimethyl acetal 
• 100-52-7 benzaldehyde 
• 674-82-8 4-methyleneoxetan-2-one 
• 64-17-5 ethanol 

Downstream Products

• 1446846-45-2 ethyl-6-(aminomethyl)-4-(4-chlorophenyl)-2-oxo-1,2,3,4-tetrahydro pyrimidine-5-carboxylate 

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