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

Base Information

• Chemical Name: 7-Bromoquinazoline-2,4(1H,3H)-dione
• CAS No.: 114703-12-7
• Molecular Formula: C₈H₅BrN₂O₂
• Molecular Weight: 241.044
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID90555150
• Metabolomics Workbench ID: 170358
• Wikidata: Q82436410
• Mol file: 114703-12-7.mol

Synonyms:114703-12-7;7-BROMOQUINAZOLINE-2,4(1H,3H)-DIONE;7-bromoquinazoline-2,4-diol;7-Bromo-1H-quinazoline-2,4-dione;2,4(1H,3H)-Quinazolinedione, 7-bromo-;MFCD09954848;7-Bromo-2,4(1H,3H)-quinazolinedione;7-bromoquinazoline-2,4-dione;SCHEMBL2730824;DTXSID90555150;AQIDPSGSKHPDAY-UHFFFAOYSA-N;AMY37924;CS-D0576;7-Bromo-1H-quinazoline-2.4-dione;AKOS015835855;AKOS025117438;GS-3895;7-Bromo-1H,3H-Quinazoline-2,4-Dione;SY012389;EN300-176887;A847159;7-bromo-1,2,3,4-tetrahydroquinazoline-2,4-dione;Z1269215379;7-Bromoquinazoline-2,4(1H,3H)-dione

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

Chemical Property:

• Melting Point: >300℃
• PKA: 10.21±0.20(Predicted)
• PSA: 66.24000
• Density: 1.753g/cm³
• LogP: 1.80350
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 239.95344
• Heavy Atom Count: 13
• Complexity: 257

Purity/Quality:

97% ^*data from raw suppliers

7-Bromoquinazoline-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=C1Br)NC(=O)NC2=O

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

There total 11 articles about 7-Bromoquinazoline-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: 97.0%

methyl 4-bromo-2-(3-(2,2,2-trichloroacetyl)ureido)benzoate → 7-bromoquinazoline-2,4(1H,3H)-dione (114703-12-7)

Guidance literature:

methyl 4-bromo-2-(3-(2,2,2-trichloroacetyl)ureido)benzoate; With ammonia; In methanol; water; at 20 ℃; for 2h;

In methanol; for 4h; Reflux;

DOI:10.1016/j.bmcl.2017.09.028

Reference yield: 92.0%

2-amino-4-bromobenzonitrile (304858-65-9) + carbon dioxide (124-38-9,18923-20-1) → 7-bromoquinazoline-2,4(1H,3H)-dione (114703-12-7)

Guidance literature:

With C₇H₁₄N₃⁽¹⁺⁾*C₃HF₆O^(1-); at 35 ℃; for 12h; under 750.075 Torr; Green chemistry;

DOI:10.1016/j.molliq.2021.117008

Reference yield: 90.0%

acetamide (60-35-5) + 2-amino-4-bromobenzoic acid (20776-50-5) → 7-bromoquinazoline-2,4(1H,3H)-dione (114703-12-7)

Guidance literature:

at 195 ℃; for 3h;

upstream raw materials:

m-Bromoaniline

acetamide

2-amino-4-bromobenzoic acid

6-bromoisatin

Downstream raw materials:

4-(3-{2-fluoro-4-[7-(5-methyl-furan-2-yl)4-morpholin-4-yl-quinazolin-2-yl]-phenyl}ureido)dimethyl-benzamide

5-(2-(4-(3-(4-(dimethylcarbamoyl)phenyl)ureido)phenyl)-4-morpholino-quinazolin-7-yl)furan-2-carboxylic acid

methyl 5-(2-(4-(3-(4-(dimethylcarbamoyl)phenyl)ureido)phenyl)-4-morpholino-quinazolin-7-yl)furan-2-carboxylate

4-(3-(4-(7-(5-cyanofuran-2-yl)-4-morpholino-quinazolin-2-yl)-3-fluorophenyl)ureido)-N,N-dimethyl-benzamide