301319-39-1

Basic information

• Product Name: 1,6-DIMETHYL-4-(4-NITRO-PHENYL)-2-OXO-1,2,3,4-TETRAHYDRO-PYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER
• Synonyms: 1,6-DIMETHYL-4-(4-NITRO-PHENYL)-2-OXO-1,2,3,4-TETRAHYDRO-PYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER;ethyl 1,6-dimethyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
• CAS NO: 301319-39-1
• Molecular Formula: C₁₅H₁₇N₃O₅
• Molecular Weight: 319.31
• Mol File: 301319-39-1.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 538°C at 760 mmHg
• Flash Point: 279.2°C
• Appearance: /
• Density: 1.28g/cm³
• Vapor Pressure: 1.21E-11mmHg at 25°C
• Refractive Index: 1.563
• PKA: 10.53±0.70(Predicted)
• CAS DataBase Reference: 1,6-DIMETHYL-4-(4-NITRO-PHENYL)-2-OXO-1,2,3,4-TETRAHYDRO-PYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 1,6-DIMETHYL-4-(4-NITRO-PHENYL)-2-OXO-1,2,3,4-TETRAHYDRO-PYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER(301319-39-1)
• EPA Substance Registry System: 1,6-DIMETHYL-4-(4-NITRO-PHENYL)-2-OXO-1,2,3,4-TETRAHYDRO-PYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER(301319-39-1)

Safety Data

• Hazardous Substances Data: 301319-39-1(Hazardous Substances Data)

Usage

Chemical Class

Pyrimidine derivatives

Molecular Structure

Complex and specific, containing a nitrophenyl group and an ethyl ester group

Applications

Widely used in chemical research and pharmaceutical development

Therapeutic Properties

Potential therapeutic properties

Handling Precautions

Important to handle with care and caution due to potential reactivity and toxicity

Functional Groups

Nitrophenyl and ethyl ester groups

Appearance

Not specified in the material provided

Solubility

Not specified in the material provided

Stability

Not specified in the material provided

InChI:InChI=1/C15H17N3O5/c1-4-23-14(19)12-9(2)17(3)15(20)16-13(12)10-5-7-11(8-6-10)18(21)22/h5-8,13H,4H2,1-3H3,(H,16,20)

Upstream product

• 141-97-9 ethyl acetoacetate 
• 555-16-8 4-nitrobenzaldehdye 
• 598-50-5 N-Methylurea 

Downstream Products

• 1047053-96-2 C₁₅H₁₉N₃O₃ 
• 1290616-39-5 C₃₇H₃₅N₅O₇ 
• 1147294-70-9 1,6-dimethyl-4-(4-nitrophenyl)-2-oxo-1,2-dihydropyrimidine-5-carboxylic acid ethyl ester 

Relevant articles and documents

Synthesis of Biginelli compounds using cobalt hydrogen sulfate

Efficient synthesis of various 2-oxo(thioxo)-1,2,3,4-tetrahydropyrimidines containing acetyl, carboethoxy, carbomethoxy and carboxamide groups on 5-position of the M-substituted and ATL-unsubstituted heterocyclic ring was achieved using cobalt hydrogen su

A convenient one-pot Biginelli reaction catalyzed by Y(OAc)3: An improved protocol for the synthesis of 3,4-dihydropyrimidin-2(1H)-ones and their sulfur analogues

Yttrium(III) acetate hydrate-catalyzed novel synthesis of 3,4-dihydropyrimidin-2(1H)-(thio)one derivatives was achieved through one-pot three-component condensation of diversified aldehydes, β-ketoesters and urea or N-methylurea or thiourea with a molar r

Expedient Synthesis of Biginelli-Type Dihydropyrimidinones Using α-(Benzotriazolyl)alkyl Urea Derivatives

Reaction of readily available α-(benzotriazolyl)alkyl urea derivatives (derived from aromatic, heteroaromatic, and aliphatic aldehydes) with β-keto esters resulted in 3,4-dihydropyrimidin-2(1H)-ones in good to excellent yields.