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

Base Information

• Chemical Name: 1-Propyl-1H-pyrido[2,3-d][1,3]oxazine-2,4-dione
• CAS No.: 111396-09-9
• Molecular Formula: C₁₀H₁₀N₂O₃
• Molecular Weight: 206.201
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID40548658
• Wikidata: Q82427427
• Mol file: 111396-09-9.mol

Synonyms:1-Propyl-1H-pyrido[2,3-d][1,3]oxazine-2,4-dione;111396-09-9;1-propylpyrido[2,3-d][1,3]oxazine-2,4-dione;EDTA-Na4;DTXSID40548658;AKOS015839607;1-Propyl-2H-pyrido[2,3-d][1,3]oxazine-2,4(1H)-dione;1-propyl-1H,2H,4H-pyrido[2,3-d][1,3]oxazine-2,4-dione

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

Chemical Property:

• PSA: 65.10000
• LogP: 0.75970
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 206.06914219
• Heavy Atom Count: 15
• Complexity: 280

Purity/Quality:

97% ^*data from raw suppliers

1-Propyl-1H-pyrido[2,3-d][1,3]oxazine-2,4-dione 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCN1C2=C(C=CC=N2)C(=O)OC1=O

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

There total 2 articles about 1-Propyl-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: 85.0%

3-azaisatoic anhydride (21038-63-1) → N-propyl-2H-pyrido<2,3-d><1,3>oxazine-2,4 1H-dione (111396-09-9)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; for 3h; Ambient temperature;

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

Reference yield:

2-Aminocarbonylnicotinic acid (5860-70-8) → N-propyl-2H-pyrido<2,3-d><1,3>oxazine-2,4 1H-dione (111396-09-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 75 percent / lead tetra-acetate / dimethylformamide

2: 85 percent / sodium hydride / dimethylformamide / 3 h / Ambient temperature

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

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

Reference yield: 59.0%

N-propyl-2H-pyrido<2,3-d><1,3>oxazine-2,4 1H-dione (111396-09-9) + pentamethylenebis(magnesium bromide) (23708-48-7) → 1-(2'-propylamino-3'-pyridinyl)cyclohexanol (111396-25-9)

Guidance literature:

In tetrahydrofuran; for 1h;

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

upstream raw materials:

3-azaisatoic anhydride

2-Aminocarbonylnicotinic acid

Downstream raw materials:

1-(2'-propylamino-3'-pyridinyl)cyclohexanol

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