2-Naphthalen-1-yl-4,5-dihydro-1,3-oxazole

Base Information

• Chemical Name: 2-Naphthalen-1-yl-4,5-dihydro-1,3-oxazole
• CAS No.: 40054-08-8
• Molecular Formula: C13H11NO
• Molecular Weight: 197.236
• NSC Number: 160089
• DSSTox Substance ID: DTXSID60303685
• Nikkaji Number: J1.140.430H
• Wikidata: Q82049091
• Mol file: 40054-08-8.mol

Synonyms:40054-08-8;2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole;naphthyloxazoline;NSC160089;SCHEMBL7059491;DTXSID60303685;NSC-160089

Chemical Property of 2-Naphthalen-1-yl-4,5-dihydro-1,3-oxazole

Chemical Property:

• Vapor Pressure: 3.08E-05mmHg at 25°C
• Boiling Point: 366.5°C at 760 mmHg
• Flash Point: 142.4°C
• Density: 1.17g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 197.084063974
• Heavy Atom Count: 15
• Complexity: 261

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC(=N1)C2=CC=CC3=CC=CC=C32

Technology Process of 2-Naphthalen-1-yl-4,5-dihydro-1,3-oxazole

There total 9 articles about 2-Naphthalen-1-yl-4,5-dihydro-1,3-oxazole 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%

1-naphthylcarboxamide (2243-81-4) + 1,2-dichloro-ethane (107-06-2,52399-93-6) → 2-(naphthalen-1-yl)-4,5-dihydrooxazole (40054-08-8)

Guidance literature:

With sodium carbonate; at 140 ℃; for 24h; Sealed tube;

Reference yield: 72.0%

1-naphthaldehyde (66-77-3) + ethanolamine (141-43-5) → 2-(naphthalen-1-yl)-4,5-dihydrooxazole (40054-08-8)

Guidance literature:

With iodine; sodium carbonate; In tert-butyl alcohol; at 70 ℃; for 18h;

DOI:10.1016/j.tet.2006.11.077

Reference yield: 55.0%

1-naphthalene methanol (4780-79-4) + ethanolamine (141-43-5) → 2-(naphthalen-1-yl)-4,5-dihydrooxazole (40054-08-8)

Guidance literature:

1-naphthalene methanol; With iodine; potassium carbonate; In tert-butyl alcohol; at 70 ℃; for 8h;

ethanolamine; In tert-butyl alcohol; at 70 ℃; for 18h;

DOI:10.1016/j.tet.2006.11.077

upstream raw materials:

N-(2-bromo-ethyl)-[1]naphthamide

1-naphthalenecarboxylic acid

ethanolamine

1-naphthaldehyde

Downstream raw materials:

1-naphthalenecarboxylic acid