8-Ethyl-5-oxo-2-piperazin-4-ium-1-ylpyrido[2,3-d]pyrimidine-6-carboxylate

Base Information

• Chemical Name: 8-Ethyl-5-oxo-2-piperazin-4-ium-1-ylpyrido[2,3-d]pyrimidine-6-carboxylate
• CAS No.: 51940-44-4
• Molecular Formula: C14H17N5O3
• Molecular Weight: 303.321
• Hs Code.: 29335990
• Mol file: 51940-44-4.mol

Synonyms:8-ethyl-5-oxo-2-piperazin-4-ium-1-ylpyrido[2,3-d]pyrimidine-6-carboxylate

Chemical Property of 8-Ethyl-5-oxo-2-piperazin-4-ium-1-ylpyrido[2,3-d]pyrimidine-6-carboxylate

Chemical Property:

• Appearance/Colour: white to off-white powder
• Vapor Pressure: 2.86E-12mmHg at 25°C
• Melting Point: 251-255℃
• Refractive Index: 1.617
• Boiling Point: 534.9 °C at 760 mmHg
• PKA: 4.14±0.20(Predicted)
• Flash Point: 277.3 °C
• PSA: 100.35000
• Density: 1.38 g/cm³
• LogP: 0.31300
• Storage Temp.: Amber Vial, -20°C Freezer, Under inert atmosphere
• Sensitive.: Light Sensitive
• Solubility.: 1 M NaOH: soluble50mg/mL
• Water Solubility.: Soluble in 1N sodium hydroxide or in DMSO. Insoluble in water
• XLogP3: -2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 303.13313942
• Heavy Atom Count: 22
• Complexity: 483

Purity/Quality:

99% ^*data from raw suppliers

Pipemidic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 42/43
• Safety Statements: 22-36/37-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C=C(C(=O)C2=CN=C(N=C21)N3CC[NH2+]CC3)C(=O)[O-]
• Uses: antibacterial Pipemidic acid is an antibiotic and cell selection agent.
• Therapeutic Function: Antibacterial (urinary)

Technology Process of 8-Ethyl-5-oxo-2-piperazin-4-ium-1-ylpyrido[2,3-d]pyrimidine-6-carboxylate

There total 7 articles about 8-Ethyl-5-oxo-2-piperazin-4-ium-1-ylpyrido[2,3-d]pyrimidine-6-carboxylate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

ethyl 5,8-dihydro-8-ethyl-2-(1-piperazinyl)-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate (51940-43-3) → pipedimic acid (51940-44-4)

Guidance literature:

With sodium hydroxide;

Reference yield:

2-(4-acetyl-piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester (52070-73-2) → pipedimic acid (51940-44-4)

Guidance literature:

With sodium hydroxide;

Reference yield:

piperazine hexahydrate (142-63-2,16832-43-2) + 2-Methylmercapto-5-oxo-8-ethyl-5,8-dihydro-pyrido(2,3-d)-pyrimidine-6-carboxylic acid (19572-11-3) → pipedimic acid (51940-44-4)

Guidance literature:

With dimethyl sulfoxide;

upstream raw materials:

diethyl sulfate

pipemidic acid

piperazine hexahydrate

2-Methylmercapto-5-oxo-8-ethyl-5,8-dihydro-pyrido(2,3-d)-pyrimidine-6-carboxylic acid

Downstream raw materials:

2-(4-{[(4-pyrazol-1-ylphenyl)amino]carbonothioyl}-1-piperazinyl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid

2-(4-{[(2-chlorophenyl)amino]carbonothioyl}-1-piperazinyl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid

2-(4-{[(2,3-dichlorophenyl)amino]carbonothioyl}-1-piperazinyl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid

2-(4-{[(2,5-dichlorophenyl)amino]carbonothioyl}-1-piperazinyl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid

Refernces

• 1、 -. "8-Alkyl-5-oxo-5,8-dihydro-pyrido(2,3-d)pyrimidine-6-carboxylic acids and their preparation". . . Retrieved 2008/06/13.