7-bromo-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one

Base Information

• Chemical Name: 7-bromo-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
• CAS No.: 122450-96-8
• Molecular Formula: C7H5BrN2O2
• Molecular Weight: 229.033
• Hs Code.: 2934999090
• European Community (EC) Number: 849-934-8
• ChEMBL ID: CHEMBL4516453
• DSSTox Substance ID: DTXSID80579704
• Wikidata: Q72512173
• Mol file: 122450-96-8.mol

Synonyms:7-bromo-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one;122450-96-8;7-BROMO-4H-PYRIDO[3,2-B][1,4]OXAZIN-3-ONE;2H-PYRIDO[3,2-B]-1,4-OXAZIN-3(4H)-ONE, 7-BROMO-;MFCD09834134;7-BROMO-2H,3H,4H-PYRIDO[3,2-B][1,4]OXAZIN-3-ONE;SCHEMBL859012;7-bromo-2H-pyrido[3,2-b]-1,4-oxazin-3(4H)-one;CHEMBL4516453;DTXSID80579704;ATRMUPKQFDRURR-UHFFFAOYSA-N;BCP17650;AKOS015909363;AB52751;CS-W022527;DD-0258;AM803054;SY108543;EN300-243307;A891131;7-Bromo-2H-pyrido[3,2-b]1,4-oxazin-3(4H)-one;J-519118;7-Bromo-2H-pyrido[3 pound not2-b][1 pound not4]oxazin-3(4H)-one

Chemical Property of 7-bromo-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one

Chemical Property:

• Vapor Pressure: 9.86E-07mmHg at 25°C
• Refractive Index: 1.607
• Boiling Point: 403.9 °C at 760 mmHg
• PKA: 9.98±0.20(Predicted)
• Flash Point: 198 °C
• PSA: 51.22000
• Density: 1.772 g/cm³
• LogP: 1.31300
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 227.95344
• Heavy Atom Count: 12
• Complexity: 200

Purity/Quality:

97% ^*data from raw suppliers

7-Bromo-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(=O)NC2=C(O1)C=C(C=N2)Br

Technology Process of 7-bromo-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one

There total 3 articles about 7-bromo-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one 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: 80.0%

4H-pyrido[3,2-b][1,4]oxazin-3-one (20348-09-8) → 3-Oxo-3,4-dihydro-2H-1-oxa-4,5-diaza-7-bromo-naphthalene (122450-96-8)

Guidance literature:

With bromine; In N,N-dimethyl-formamide; for 2h; Ambient temperature;

DOI:10.1016/S0968-0896(97)10005-0

Reference yield:

2-amino-3-hydroxypyridine (16867-03-1) → 3-Oxo-3,4-dihydro-2H-1-oxa-4,5-diaza-7-bromo-naphthalene (122450-96-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 67 percent / sodium hydrogencarbonate / H₂O; butan-2-one / 1.) room temperature, 30 min, 2.) 75 deg C, 30 min

2: 80 percent / bromine / dimethylformamide / 2 h / Ambient temperature

With bromine; sodium hydrogencarbonate; In water; N,N-dimethyl-formamide; butanone;

DOI:10.1016/S0968-0896(97)10005-0

Reference yield:

→ (R)-1-(2-chloropyridin-3-yl)ethyl (1-methyl-4-(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-1H-1,2,3-triazol-5-yl)carbamate + 3-Oxo-3,4-dihydro-2H-1-oxa-4,5-diaza-7-bromo-naphthalene (122450-96-8)

Guidance literature:

upstream raw materials:

4H-pyrido[3,2-b][1,4]oxazin-3-one

2-amino-3-hydroxypyridine

Downstream raw materials:

1-(3-((3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)ethynyl)phenyl)-3-(3-(trifluoromethyl)phenyl)urea

1-(5-tert-butylisoxazol-3-yl)-3-(4-(3-(2-hydroxyethyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)phenyl)urea