1H-Isoindole-1,3(2H)-dione, 2-((6-bromo-3,4-dihydro-3-(3-((diethylamino)methyl)-4-hydroxyphenyl)-4-oxo-2-quinazolinyl)methyl)-

Base Information

• Chemical Name: 1H-Isoindole-1,3(2H)-dione, 2-((6-bromo-3,4-dihydro-3-(3-((diethylamino)methyl)-4-hydroxyphenyl)-4-oxo-2-quinazolinyl)methyl)-
• CAS No.: 134700-40-6
• Molecular Formula: C₂₈H₂₅BrN₄O₄
• Molecular Weight: 561.435
• DSSTox Substance ID: DTXSID70158880
• Wikidata: Q83027171
• Mol file: 134700-40-6.mol

Synonyms:BRN 4773721;134700-40-6;1H-Isoindole-1,3(2H)-dione, 2-((6-bromo-3,4-dihydro-3-(3-((diethylamino)methyl)-4-hydroxyphenyl)-4-oxo-2-quinazolinyl)methyl)-;C28H25BrN4O4;DTXSID70158880;C28-H25-Br-N4-O4;LS-84508

Chemical Property of 1H-Isoindole-1,3(2H)-dione, 2-((6-bromo-3,4-dihydro-3-(3-((diethylamino)methyl)-4-hydroxyphenyl)-4-oxo-2-quinazolinyl)methyl)-

Chemical Property:

• Vapor Pressure: 1.83E-21mmHg at 25°C
• Boiling Point: 720.7°Cat760mmHg
• Flash Point: 389.7°C
• Density: 1.48g/cm³
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 560.10592
• Heavy Atom Count: 37
• Complexity: 900

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CC1=C(C=CC(=C1)N2C(=NC3=C(C2=O)C=C(C=C3)Br)CN4C(=O)C5=CC=CC=C5C4=O)O

Technology Process of 1H-Isoindole-1,3(2H)-dione, 2-((6-bromo-3,4-dihydro-3-(3-((diethylamino)methyl)-4-hydroxyphenyl)-4-oxo-2-quinazolinyl)methyl)-

There total 4 articles about 1H-Isoindole-1,3(2H)-dione, 2-((6-bromo-3,4-dihydro-3-(3-((diethylamino)methyl)-4-hydroxyphenyl)-4-oxo-2-quinazolinyl)methyl)- 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:

N-phthaloylglycine chloride (6780-38-7) → 2-[6-Bromo-3-(3-diethylaminomethyl-4-hydroxy-phenyl)-4-oxo-3,4-dihydro-quinazolin-2-ylmethyl]-isoindole-1,3-dione (134700-40-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 60 percent / pyridine / 1) 0 to 5 deg C, 1h, 2) RT, overnight

2: 75 percent / pyridine / Heating

3: 1) EtOH, 1h, reflux, 2) 12h, reflux

With pyridine;

Reference yield:

2-(6-Bromo-4-oxo-4H-benzo[d][1,3]oxazin-2-ylmethyl)-isoindole-1,3-dione (134700-30-4) → 2-[6-Bromo-3-(3-diethylaminomethyl-4-hydroxy-phenyl)-4-oxo-3,4-dihydro-quinazolin-2-ylmethyl]-isoindole-1,3-dione (134700-40-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 75 percent / pyridine / Heating

2: 1) EtOH, 1h, reflux, 2) 12h, reflux

With pyridine;

Reference yield:

5-Bromo-2-aminobenzoic acid (5794-88-7) → 2-[6-Bromo-3-(3-diethylaminomethyl-4-hydroxy-phenyl)-4-oxo-3,4-dihydro-quinazolin-2-ylmethyl]-isoindole-1,3-dione (134700-40-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 60 percent / pyridine / 1) 0 to 5 deg C, 1h, 2) RT, overnight

2: 75 percent / pyridine / Heating

3: 1) EtOH, 1h, reflux, 2) 12h, reflux

With pyridine;

upstream raw materials:

formaldehyd

2-[6-Bromo-3-(4-hydroxy-phenyl)-4-oxo-3,4-dihydro-quinazolin-2-ylmethyl]-isoindole-1,3-dione

diethylamine

N-phthaloylglycine chloride