2-amino-6-{[(4-nitrophenyl)(prop-2-yn-1-yl)amino]methyl}quinazolin-4(1H)-one

Base Information

• Chemical Name: 2-amino-6-{[(4-nitrophenyl)(prop-2-yn-1-yl)amino]methyl}quinazolin-4(1H)-one
• CAS No.: 123685-36-9
• Molecular Formula: C18H15 N5 O3
• Molecular Weight: 349.3434
• Mol file: 123685-36-9.mol

Synonyms:4(1H)-Quinazolinone,2-amino-6-[[(4-nitrophenyl)-2-propynylamino]methyl]- (9CI); PD 130883

Chemical Property of 2-amino-6-{[(4-nitrophenyl)(prop-2-yn-1-yl)amino]methyl}quinazolin-4(1H)-one

Chemical Property:

• Vapor Pressure: 3.96E-15mmHg at 25°C
• Boiling Point: 616.5°C at 760 mmHg
• Flash Point: 326.6°C
• Density: 1.36g/cm³

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-amino-6-{[(4-nitrophenyl)(prop-2-yn-1-yl)amino]methyl}quinazolin-4(1H)-one

There total 5 articles about 2-amino-6-{[(4-nitrophenyl)(prop-2-yn-1-yl)amino]methyl}quinazolin-4(1H)-one 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: 47.0%

N-[3,4-Dihydro-6-[[(4-nitrophenyl)-2-propynylamino]methyl]4-oxo-2-quinazolinyl]-2,2-dimethylpropanamide (123685-48-3) → 2-amino-6-[[(4-nitrophenyl)-2-propynylamino]methyl]-4(3H)-quinazolinone (123685-36-9)

Guidance literature:

With ammonia; In methanol; for 36h; Ambient temperature;

DOI:10.1021/jm00169a040

Reference yield:

4-nitro-N-2-propynylbenzenamine (75077-46-2) → 2-amino-6-[[(4-nitrophenyl)-2-propynylamino]methyl]-4(3H)-quinazolinone (123685-36-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 32.6 percent / CaCO₃, N,N-dimethylacetamide (DMA) / 24 h / 60 °C

2: 47 percent / NH₃ / methanol / 36 h / Ambient temperature

With N,N-dimethyl acetamide; ammonia; calcium carbonate; In methanol;

DOI:10.1021/jm00169a040

Reference yield:

N-[6-(bromomethyl)-3,4-dihydro-4-oxo-2-quinazolinyl]-2,2-dimethylpropanamide (58677-07-9) → 2-amino-6-[[(4-nitrophenyl)-2-propynylamino]methyl]-4(3H)-quinazolinone (123685-36-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 32.6 percent / CaCO₃, N,N-dimethylacetamide (DMA) / 24 h / 60 °C

2: 47 percent / NH₃ / methanol / 36 h / Ambient temperature

With N,N-dimethyl acetamide; ammonia; calcium carbonate; In methanol;

DOI:10.1021/jm00169a040

upstream raw materials:

N-[3,4-Dihydro-6-[[(4-nitrophenyl)-2-propynylamino]methyl]4-oxo-2-quinazolinyl]-2,2-dimethylpropanamide

4-nitro-N-2-propynylbenzenamine

N-[6-(bromomethyl)-3,4-dihydro-4-oxo-2-quinazolinyl]-2,2-dimethylpropanamide

4-Fluoronitrobenzene