Oxazolo(5,4-b)pyridin-2(1H)-one, 1-(3-bromopropyl)-

Base Information

• Chemical Name: Oxazolo(5,4-b)pyridin-2(1H)-one, 1-(3-bromopropyl)-
• CAS No.: 142714-73-6
• Molecular Formula: C9H9 Br N2 O2
• Molecular Weight: 257.087
• DSSTox Substance ID: DTXSID00162137
• Wikidata: Q83030698
• Mol file: 142714-73-6.mol

Synonyms:3-(3-Bromopropyl)oxazolo(4,5-b)pyridin-2(3H)-one;Oxazolo(5,4-b)pyridin-2(1H)-one, 1-(3-bromopropyl)-;142714-73-6;SCHEMBL9597080;DTXSID00162137;LS-100891

Chemical Property of Oxazolo(5,4-b)pyridin-2(1H)-one, 1-(3-bromopropyl)-

Chemical Property:

• Vapor Pressure: 1.43E-05mmHg at 25°C
• Boiling Point: 366.8°Cat760mmHg
• Flash Point: 175.6°C
• Density: 1.631g/cm³
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 255.98474
• Heavy Atom Count: 14
• Complexity: 225

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC2=C(N=C1)OC(=O)N2CCCBr

Technology Process of Oxazolo(5,4-b)pyridin-2(1H)-one, 1-(3-bromopropyl)-

There total 3 articles about Oxazolo(5,4-b)pyridin-2(1H)-one, 1-(3-bromopropyl)- 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: 57.0%

→ 1-(3-bromopropyl)oxazolo<5,4-b>pyridin-2(1H)-one (142714-73-6)

Guidance literature:

Reference yield:

3-amino-2-pyridone (33630-99-8) → 1-(3-bromopropyl)oxazolo<5,4-b>pyridin-2(1H)-one (142714-73-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 78 percent / NEt₃ / CH₂Cl₂; tetrahydrofuran / 6 h / -78 °C

2: 1.) NaH / 1.) DMF, 40-50 deg C, 40 min, 2.) DMF, 110 deg C, 1 h

With sodium hydride; triethylamine; In tetrahydrofuran; dichloromethane;

DOI:10.1016/S0040-4039(00)61315-1

Reference yield:

oxazolo[5,4-b]pyridin-2(3H)-one (118767-92-3) + 1,3-dibromo-propane (109-64-8) → 1-(3-bromopropyl)oxazolo<5,4-b>pyridin-2(1H)-one (142714-73-6)

Guidance literature:

With sodium hydride; Yield given. Multistep reaction; 1.) DMF, 40-50 deg C, 40 min, 2.) DMF, 110 deg C, 1 h;

DOI:10.1016/S0040-4039(00)61315-1

upstream raw materials:

oxazolo[5,4-b]pyridin-2(3H)-one

1,3-dibromo-propane

3-amino-2-pyridone

Downstream raw materials:

1-<3-<4-(4-fluorophenyl)-1-piperazinyl>propyl>oxazolo<5,4-b>pyridin-2(1H)-one

1-<3-(4-phenyl-1-piperazinyl)propyl>oxazolo<5,4-b>pyridin-2(1H)-one