1H-Pyrido[2,3-d][1,3]oxazine-2,4-dione

Base Information

• Chemical Name: 1H-Pyrido[2,3-d][1,3]oxazine-2,4-dione
• CAS No.: 21038-63-1
• Molecular Formula: C7H4N2O3
• Molecular Weight: 164.12
• Hs Code.: 2934999090
• European Community (EC) Number: 606-690-5
• DSSTox Substance ID: DTXSID50450778
• Wikidata: Q82270597
• Mol file: 21038-63-1.mol

Synonyms:1H-Pyrido[2,3-d][1,3]oxazine-2,4-dione;21038-63-1;3-Azaisatoic anhydride;2H-pyrido[2,3-d][1,3]oxazine-2,4(1H)-dione;1H,2H,4H-pyrido[2,3-d][1,3]oxazine-2,4-dione;aza-isatoic anhydride;3-azaisatoic acid anhydride;SCHEMBL1522777;DTXSID50450778;LZWZQYVPLLPAGX-UHFFFAOYSA-N;WAA03863;AKOS005264839;AT20002;AS-76401;A4562;BB 0256713;CS-0149702;FT-0682587;EN300-70781;1H-pyrido[2,3-d][1,3]oxazine-2,4-quinone;2H-pyrido-[2,3-d][1,3]oxazine-2,4(1H)-dione;2H-pyrido[2,3-d][1 ,3]oxazine-2,4(1H)-dione;4H-pyrido[2,3-d] [1,3]oxazine-2,4(1H)-dione;F2113-0481;Z1138590081

Chemical Property of 1H-Pyrido[2,3-d][1,3]oxazine-2,4-dione

Chemical Property:

• Melting Point: 195.0 °C
• Refractive Index: 1.593
• PKA: 9.13±0.20(Predicted)
• PSA: 75.96000
• Density: 1.498 g/cm3
• LogP: -0.12370
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 164.02219199
• Heavy Atom Count: 12
• Complexity: 229

Purity/Quality:

98%min ^*data from raw suppliers

1H-Pyrido[2,3-d][1,3]oxazine-2,4-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC2=C(NC(=O)OC2=O)N=C1

Technology Process of 1H-Pyrido[2,3-d][1,3]oxazine-2,4-dione

There total 8 articles about 1H-Pyrido[2,3-d][1,3]oxazine-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: 75.0%

2-Aminocarbonylnicotinic acid (5860-70-8) → 3-azaisatoic anhydride (21038-63-1)

Guidance literature:

With lead(IV) acetate; In N,N-dimethyl-formamide;

DOI:10.1016/S0040-4020(01)90000-6

Reference yield: 64.5%

2-aminopyridin-3-carboxylic acid (5345-47-1) + chloroformic acid ethyl ester (541-41-3) → 3-azaisatoic anhydride (21038-63-1)

Guidance literature:

at 110 ℃; for 12h;

Reference yield: 58.0%

Pyridine-2,3-dicarboxylic anhydride (699-98-9) → 3-azaisatoic anhydride (21038-63-1)

Guidance literature:

With trimethylsilylazide;

upstream raw materials:

2-benzoyloxycarbamoyl-nicotinic acid

Pyridine-2,3-dicarboxylic anhydride

2-Aminocarbonylnicotinic acid

2-aminopyridin-3-carboxylic acid

Downstream raw materials:

N-methyl 2H-pyrido<2,3-d><1,3>oxazine-2,4-1H-dione

1-(3-methylbutyl)-2H-pyrido[2,3-d][1,3]oxazine-2,4(1H)-dione

4-benzyl-2-morpholino-3H-pyrido[2,3-e][1,4]diazepin-5(4H)-one

4-benzyl-2-(pyrrolidin-1-yl)-3H-pyrido[2,3-e][1,4]diazepin-5(4H)-one

Refernces

• 1、 El Bouakher, Abderrahman,Prié, Gildas,Aadil, Mina,Akssira, Mohamed,Viaud-Massuard, Marie-Claude. "Synthesis of novel 2,4-disubstituted 3H-pyrido[3,2-e][1,4]diazepin-5-ones and 2,4-disubstituted 3H-pyrido[2,3-e][1,4]diazepin-5-ones derivatives via regioselective thionation and nucleophilic substitutions reactions". . p. 5086 - 5091. Retrieved 2013/07/05.
• 2、 -. "BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS ANTIVARAL AGENTS". Page/Page column 87-88. . Retrieved 2010/10/03.