6-Amino-1H-quinazoline-2,4-dione

Base Information

• Chemical Name: 6-Amino-1H-quinazoline-2,4-dione
• CAS No.: 54243-58-2
• Molecular Formula: C₈H₇N₃O₂
• Molecular Weight: 177.162
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00360772
• Wikidata: Q82142692
• Mol file: 54243-58-2.mol

Synonyms:54243-58-2;6-Aminoquinazoline-2,4(1H,3H)-dione;6-Amino-1H-quinazoline-2,4-dione;6-amino quinazolinedione;Oprea1_081553;6-aminoquinazoline-2,4-diol;SCHEMBL4610600;DTXSID00360772;SDUUYVWJDAEWSE-UHFFFAOYSA-N;AKOS005151736;6-amino-2-hydroxy-3,4-dihydroquinazolin-4-one;EN300-1296113;A870509

Chemical Property of 6-Amino-1H-quinazoline-2,4-dione

Chemical Property:

• PKA: 11.05±0.20(Predicted)
• PSA: 92.26000
• Density: 1.433±0.06 g/cm3(Predicted)
• LogP: 1.20440
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 177.053826475
• Heavy Atom Count: 13
• Complexity: 254

Purity/Quality:

95% ^*data from raw suppliers

6-Aminoquinazoline-2,4(1H,3H)-dione 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1N)C(=O)NC(=O)N2

Technology Process of 6-Amino-1H-quinazoline-2,4-dione

There total 4 articles about 6-Amino-1H-quinazoline-2,4-dione 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:

4-methoxy-1,8-malonylnaphthalene → 6-amino-1H-quinazoline-2,4-dione (54243-58-2)

Guidance literature:

With trichlorophosphate; In (2S)-N-methyl-1-phenylpropan-2-amine hydrate; N,N-dimethyl-formamide;

Reference yield:

6-Nitro-1H-quinazoline-2,4-dione (32618-85-2) → 6-amino-1H-quinazoline-2,4-dione (54243-58-2)

Guidance literature:

With palladium on activated charcoal; hydrogen; In N,N-dimethyl-formamide; for 12h; under 3750.38 Torr;

DOI:10.1016/j.bmcl.2008.10.129

Reference yield:

→ 6-amino-1H-quinazoline-2,4-dione (54243-58-2)

Guidance literature:

With ammonium sulfide;

upstream raw materials:

6-Nitro-1H-quinazoline-2,4-dione

Downstream raw materials:

C₂₃H₂₄N₄O₇

C₂₃H₂₄N₄O₇

Refernces

• 1、 -. "Indandione bis-azomethine pigments". . . Retrieved 2008/06/13.