3-(1,3-Oxazol-2-yl)aniline

Base Information

• Chemical Name: 3-(1,3-Oxazol-2-yl)aniline
• CAS No.: 35582-08-2
• Molecular Formula: C9H8N2O
• Molecular Weight: 160.175
• Hs Code.: 2934999090
• European Community (EC) Number: 835-287-9
• DSSTox Substance ID: DTXSID10494875
• Nikkaji Number: J1.819.585B
• Wikidata: Q82342589
• Mol file: 35582-08-2.mol

Synonyms:35582-08-2;3-(Oxazol-2-yl)aniline;3-(1,3-oxazol-2-yl)aniline;3-Oxazol-2-yl-phenylamine;3-(2-oxazolyl)aniline;MFCD14657178;Benzenamine, 3-(2-oxazolyl)-;SCHEMBL3846030;2-(3-Aminophenyl)1,3-oxazole;DTXSID10494875;PMLOUCFXSMIGQI-UHFFFAOYSA-N;AKOS010652632;AM807155;BS-13695;SY192208;CS-0437670;EN300-72649;F84128;Z815304294

Chemical Property of 3-(1,3-Oxazol-2-yl)aniline

Chemical Property:

• PSA: 52.05000
• LogP: 2.50500
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 160.063662883
• Heavy Atom Count: 12
• Complexity: 152

Purity/Quality:

97% ^*data from raw suppliers

3-Oxazol-2-yl-phenylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)N)C2=NC=CO2

Technology Process of 3-(1,3-Oxazol-2-yl)aniline

There total 4 articles about 3-(1,3-Oxazol-2-yl)aniline 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:

2-(m-Nitrophenyl)oxazole (35582-07-1) → 2-(3-aminophenyl)1,3-oxazole (35582-08-2)

Guidance literature:

With iron; ammonium chloride; In ethanol; water; for 2h; Reflux;

Reference yield:

3-nitrobenzoic acid (121-92-6) → 2-(3-aminophenyl)1,3-oxazole (35582-08-2)

Guidance literature:

Multi-step reaction with 3 steps

1.1: N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 0.17 h / 20 °C

1.2: 2 h / 20 °C

2.1: phosphorus pentoxide; methanesulfonic acid / 130 °C

3.1: ammonium chloride; iron / water; ethanol / 2 h / Reflux

With methanesulfonic acid; phosphorus pentoxide; iron; ammonium chloride; N-ethyl-N,N-diisopropylamine; In ethanol; water; N,N-dimethyl-formamide;

Reference yield:

C11H14N2O5 → 2-(3-aminophenyl)1,3-oxazole (35582-08-2)

Guidance literature:

Multi-step reaction with 2 steps

1: phosphorus pentoxide; methanesulfonic acid / 130 °C

2: ammonium chloride; iron / water; ethanol / 2 h / Reflux

With methanesulfonic acid; phosphorus pentoxide; iron; ammonium chloride; In ethanol; water;

upstream raw materials:

3-nitrobenzoic acid

2-(m-Nitrophenyl)oxazole

Downstream raw materials:

2-(3-chlorophenyl)oxazole