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

Base Information

• Chemical Name: 6-iodo-1H-quinazoline-2,4-dione
• CAS No.: 16353-27-8
• Molecular Formula: C8H5 I N2 O2
• Molecular Weight: 288.044
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70464155
• Nikkaji Number: J2.710.571H
• Wikidata: Q82289363
• Mol file: 16353-27-8.mol

Synonyms:16353-27-8;6-iodo-1H-quinazoline-2,4-dione;6-Iodoquinazoline-2,4(1H,3H)-dione;2,4(1H,3H)-Quinazolinedione, 6-iodo-;VT1417;6-Iodoquinazolinedione;6-Iodoquinazolin-2,4-Dione;6-iodo-quinazoline-2,4-diol;SCHEMBL3666779;SCHEMBL20680521;DTXSID70464155;NBSMJLABFCDYFQ-UHFFFAOYSA-N;MFCD09029814;6-iodoquinazolin-2,4(1H,3H)-dione;AKOS015962671;6-Iodo-2,4(1H,3H)-quinazolinedione;AC-17768;AS-62521;CS-0060656;6-iodo-1,2,3,4-tetrahydroquinazoline-2,4-dione

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

Chemical Property:

• Melting Point: >300 °C(Solv: 1,4-dioxane (123-91-1))
• Refractive Index: 1.671
• PKA: 10.03±0.20(Predicted)
• PSA: 66.24000
• Density: 2.008g/cm³
• LogP: 1.64560
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 287.93957
• Heavy Atom Count: 13
• Complexity: 257

Purity/Quality:

NLT 98% ^*data from raw suppliers

6-IODO-1H-QUINAZOLINE-2,4-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=C1I)C(=O)NC(=O)N2

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

There total 10 articles about 6-iodo-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: 98.0%

urea (57-13-6) + 2-amino-5-iodobenzoic acid (5326-47-6) → 6-Iodo-1H-quinazoline-2,4-dione (16353-27-8)

Guidance literature:

urea; 2-amino-5-iodobenzoic acid; at 160 ℃; for 6h;

With sodium hydroxide; In water; Heating;

DOI:10.1021/jm901379s

Reference yield: 98.0%

→ 6-Iodo-1H-quinazoline-2,4-dione (16353-27-8)

Guidance literature:

Reference yield: 88.0%

potassium cyanate (590-28-3) + 2-amino-5-iodobenzoic acid (5326-47-6) → 6-Iodo-1H-quinazoline-2,4-dione (16353-27-8)

Guidance literature:

potassium cyanate; 2-amino-5-iodobenzoic acid; With acetic acid; In water; at 40 ℃; for 8h;

With sodium hydroxide; In water; at 40 ℃;

With hydrogenchloride; In water; pH=4;

upstream raw materials:

N-<4-iodo-2-(methoxycarbonyl)phenyl>urea

urea

2-amino-5-iodobenzoic acid

5-iodoisatoic anhydride

Downstream raw materials:

2,4-dichloro-6-iodoquinazoline

ethyl (2-chloro-6-iodo-3,4-dihydroquinazolin-3-yl)acetate

7-iodo-1,2,3,5-tetrahydroimidazo<2,1-b>quinazolin-2(1H)-one

3-(3,4-Difluoro-benzyl)-6-iodo-1-methyl-1H-quinazoline-2,4-dione