7-Nitroquinazoline-2,4(1H,3H)-dione

Base Information

• Chemical Name: 7-Nitroquinazoline-2,4(1H,3H)-dione
• CAS No.: 174565-63-0
• Molecular Formula: C8H5N3O4
• Molecular Weight: 207.145
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70392121
• Nikkaji Number: J3.128.123G
• Mol file: 174565-63-0.mol

Synonyms:7-NITROQUINAZOLINE-2,4(1H,3H)-DIONE;174565-63-0;7-nitro-1H-quinazoline-2,4-dione;2,4(1H,3H)-Quinazolinedione, 7-nitro-;7-nitro-1,2,3,4-tetrahydroquinazoline-2,4-dione;7-nitro-quinazoline-2,4(1H,3H)-dione;7-nitroquinazoline-2,4-dione;SCHEMBL7031106;DTXSID70392121;FDAQHIHYBBEDQQ-UHFFFAOYSA-N;AKOS015919531;7-Nitro-2,4(1H,3H)-quinazolinedione,;AS-63421;BP-20229;CS-0103059;F15663;A881682;7-nitro-1,2,3,4-tetrahydro-quinazoline-2,4-dione;J-507047

Chemical Property of 7-Nitroquinazoline-2,4(1H,3H)-dione

Chemical Property:

• Melting Point: 350-355℃
• PKA: 9.01±0.20(Predicted)
• PSA: 112.06000
• Density: 1.555±0.06 g/cm3(Predicted)
• LogP: 1.47240
• Storage Temp.: 2-8°C
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 207.02800565
• Heavy Atom Count: 15
• Complexity: 324

Purity/Quality:

97% ^*data from raw suppliers

7-Nitroquinazoline-2,4(1H,3H)-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1[N+](=O)[O-])NC(=O)NC2=O
• Uses: 7-Nitroquinazoline-2,4(1H,3H)-dione is a reactant used in the preparation of non-peptidic substrate-mimetic inhibitors of Akt as potential anti-cancer agents.

Technology Process of 7-Nitroquinazoline-2,4(1H,3H)-dione

There total 13 articles about 7-Nitroquinazoline-2,4(1H,3H)-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: 91.0%

urea (57-13-6) + 4-Nitroanthranilic acid (619-17-0) → 7-nitro-1,2,3,4-tetrahydro-quinazoline-2,4-dione (174565-63-0)

Guidance literature:

at 160 ℃; for 6h;

Reference yield: 80.0%

C11H9N3O5 (1029420-40-3) → 7-nitro-1,2,3,4-tetrahydro-quinazoline-2,4-dione (174565-63-0)

Guidance literature:

With potassium cyanate; acetic acid; at 50 - 60 ℃; for 0.5h;

DOI:10.3987/COM-12-12551

Reference yield: 53.0%

sodium isocyanate (917-61-3) + 4-Nitroanthranilic acid (619-17-0) → 7-nitro-1,2,3,4-tetrahydro-quinazoline-2,4-dione (174565-63-0)

Guidance literature:

sodium isocyanate; 4-Nitroanthranilic acid; With acetic acid; In water; at 50 ℃;

With sodium hydroxide; In water; at 65 ℃; for 4h; pH=10 - 12;

With hydrogenchloride; In water; acetone; at 40 ℃; for 2h; pH=2.0;

DOI:10.1016/j.bmc.2008.09.058

upstream raw materials:

N-Cyanoguanidine

4-Nitroanthranilic acid

urea

hydrogenchloride

Downstream raw materials:

7-aminoquinazoline-2,4(1H,3H)-dione

2,4-dichloro-7-nitroquinazoline

1,3-dibenzyl-7-nitro-1H-quinazoline-2,4-dione

1,3-dibenzyl-6-nitro-1H-quinazoline-2,4-dione