1H-Pyrido[2,3-b][1,4]oxazin-2(3H)-one

Base Information

• Chemical Name: 1H-Pyrido[2,3-b][1,4]oxazin-2(3H)-one
• CAS No.: 136742-83-1
• Molecular Formula: C7H6N2O2
• Molecular Weight: 150.13
• Hs Code.: 2934999090
• European Community (EC) Number: 965-040-1
• DSSTox Substance ID: DTXSID40579705
• Wikidata: Q82470316
• Mol file: 136742-83-1.mol

Synonyms:1H-Pyrido[2,3-b][1,4]oxazin-2(3H)-one;136742-83-1;1H-Pyrido[2,3-b][1,4]oxazin-2-one;1H-Pyrido[2,3-b][1,4]oxazin-2(3H)-one(9CI);SCHEMBL279914;DTXSID40579705;ORNSLMJWQDGQFF-UHFFFAOYSA-N;MFCD01549954;AKOS006277327;AS-42215;CS-0030376;1h,2h,3h-pyrido[2,3-b][1,4]oxazin-2-one;EN300-100244;1H-Pyrido[2,3-b][1,4]oxazin-2(3H)-one, AldrichCPR;Z1198157043

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

Chemical Property:

• Boiling Point: 384.2±37.0 °C(Predicted)
• PKA: 11.55±0.20(Predicted)
• PSA: 51.22000
• Density: 1.327±0.06 g/cm3(Predicted)
• LogP: 0.55050
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 150.042927438
• Heavy Atom Count: 11
• Complexity: 172

Purity/Quality:

97% ^*data from raw suppliers

1H-Pyrido[2,3-b][1,4]oxazin-2(3H)-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)N=CC=C2

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

There total 3 articles about 1H-Pyrido[2,3-b][1,4]oxazin-2(3H)-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: 56.0%

2-chloro-3-hydroxypyridine (6636-78-8) + Chloroacetamide (79-07-2) → 1H-pyrido[2,3-b][1,4]oxazin-2(3H)-one (136742-83-1)

Guidance literature:

With caesium carbonate; at 130 ℃; for 0.333333h; Microwave irradiation;

DOI:10.5012/jkcs.2012.56.4.468

Reference yield: 28.0%

2-hydroxy-3-aminopyridine (33630-99-8) + chloroacetyl chloride (79-04-9) → 1H-pyrido[2,3-b][1,4]oxazin-2(3H)-one (136742-83-1)

Guidance literature:

With potassium carbonate; In acetonitrile; at 20 ℃; Heating;

Reference yield:

(3-amino-pyridin-2-yloxy)-acetic acid methyl ester (353292-97-4) → 1H-pyrido[2,3-b][1,4]oxazin-2(3H)-one (136742-83-1)

Guidance literature:

With acetic acid; at 60 ℃; for 0.166667h;

upstream raw materials:

2-hydroxy-3-aminopyridine

chloroacetyl chloride

(3-amino-pyridin-2-yloxy)-acetic acid methyl ester

2-chloro-3-hydroxypyridine

Downstream raw materials:

2,3-Dihydro-1H-4-oxa-1,5-diaza-naphthalene