7-Fluoro-1,3-dimethylpyrimido[4,5-b]quinoline-2,4-dione

Base Information

Chemical Name:7-Fluoro-1,3-dimethylpyrimido[4,5-b]quinoline-2,4-dione
CAS No.:181648-79-3
Molecular Formula:C₁₃H₁₀FN₃O₂
Molecular Weight:259.24
Hs Code.:
DSSTox Substance ID:DTXSID90382822
Wikidata:Q82174272

Synonyms:7-fluoro-1,3-dimethylpyrimido[4,5-b]quinoline-2,4-dione;181648-79-3;ZINC00086112;Oprea1_669721;DTXSID90382822;CCG-248853

Suppliers and Price of 7-Fluoro-1,3-dimethylpyrimido[4,5-b]quinoline-2,4-dione

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 7-Fluoro-1,3-dimethylpyrimido[4,5-b]quinoline-2,4-dione

Chemical Property:

Vapor Pressure:9.44E-08mmHg at 25°C
XLogP3:1.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:0
Exact Mass:259.07570473
Heavy Atom Count:19
Complexity:417

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CN1C2=C(C=C3C=C(C=CC3=N2)F)C(=O)N(C1=O)C

Technology Process of 7-Fluoro-1,3-dimethylpyrimido[4,5-b]quinoline-2,4-dione

There total 3 articles about 7-Fluoro-1,3-dimethylpyrimido[4,5-b]quinoline-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: 71.0%

: 6642-31-5
6-Amino-1,3-dimethylbarbituric acid

: 94569-84-3
2-bromo-5-fluorobenzaldehyde

: 181648-79-3
7-fluoro-1,3-dimethylpyrimido[4,5-b]quinoline-2,4(1H,3H)-dione

Guidance literature:: 6-Amino-1,3-dimethylbarbituric acid; 2-bromo-5-fluorobenzaldehyde; With potassium carbonate; In N,N-dimethyl-d₆-formamide; at 20 ℃;

With copper dichloride; In N,N-dimethyl-formamide; at 150 ℃; for 0.5h; Microwave irradiation;
DOI:10.1021/acs.joc.7b03272

Reference yield: 66.0%

: 6642-31-5
6-Amino-1,3-dimethylbarbituric acid

: 112399-50-5
2-bromo-5-fluorobenzyl bromide

: 181648-79-3
7-fluoro-1,3-dimethylpyrimido[4,5-b]quinoline-2,4(1H,3H)-dione

Guidance literature:: 6-Amino-1,3-dimethylbarbituric acid; 2-bromo-5-fluorobenzyl bromide; With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 0.166667h;

With oxygen; copper dichloride; In N,N-dimethyl-formamide; at 150 ℃;
DOI:10.1021/acs.joc.7b03272

Reference yield:

: 6972-27-6
1,3-Dimethyl-6-chlorouracil

: 68-12-2,33513-42-7
N,N-dimethyl-formamide

: 371-40-4
4-fluoroaniline

: 181648-79-3
7-fluoro-1,3-dimethylpyrimido[4,5-b]quinoline-2,4(1H,3H)-dione

Guidance literature:: With trichlorophosphate; Yield given. Multistep reaction; 1.) reflux, 12 h, 2.) 90 deg C, 1 h;
DOI:10.1002/jhet.5570330358