3-(1,3-Oxazol-5-yl)aniline

Base Information

• Chemical Name: 3-(1,3-Oxazol-5-yl)aniline
• CAS No.: 157837-31-5
• Molecular Formula: C9H8N2O
• Molecular Weight: 160.175
• Hs Code.: 2934999090
• European Community (EC) Number: 692-326-0
• DSSTox Substance ID: DTXSID90372304
• Nikkaji Number: J1.830.065F
• Wikidata: Q27455599
• ChEMBL ID: CHEMBL3262562
• Mol file: 157837-31-5.mol

Synonyms:3-(1,3-oxazol-5-yl)aniline;157837-31-5;3-(5-oxazolyl)aniline;5-(3-Aminophenyl)oxazole;3-(Oxazol-5-yl)aniline;Benzenamine, 3-(5-oxazolyl)-;3-oxazol-5-yl-phenylamine;CHEMBL3262562;MFCD00052191;5AO;Maybridge3_006272;3-(5-oxazolyl)-benzenamine;3-(Oxazol-5-yl)phenylamine;SCHEMBL658145;DTXSID90372304;3-(1,3-oxazol-5-yl)-aniline;HMS1448N02;3-(1,3-oxazol-5-yl)phenyl amine;BDBM50011537;AKOS005069340;SB13090;SDCCGMLS-0066239.P001;IDI1_017659;SY003088;3-(1,3-oxazol-5-yl)aniline, AldrichCPR;CS-0067855;FT-0613487;EN300-49342;A809876;10X-0817;J-510922;Q27455599;F2108-0254;Z586253148

Chemical Property of 3-(1,3-Oxazol-5-yl)aniline

Chemical Property:

• Vapor Pressure: 2.43E-05mmHg at 25°C
• Melting Point: 93-95 °C
• Refractive Index: 1.599
• Boiling Point: 359.1 °C at 760 mmHg
• PKA: 3.81±0.10(Predicted)
• Flash Point: 171 °C
• PSA: 52.05000
• Density: 1.204 g/cm³
• LogP: 2.50500
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• 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-5-yl-phenylamine 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-36-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(1,3-Oxazol-5-yl)aniline

There total 2 articles about 3-(1,3-Oxazol-5-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: 93.0%

5-(3-nitro-phenyl)-oxazole (89808-77-5) → 3-(5-oxazolyl)-benzenamine (157837-31-5)

Guidance literature:

With hydrogenchloride; tin(II) chloride dihdyrate; water; In ethanol; at 20 ℃;

Reference yield:

3-nitro-benzaldehyde (99-61-6) → 3-(5-oxazolyl)-benzenamine (157837-31-5)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / methanol / 0.5 h / Reflux

2: tin(II) chloride dihdyrate; water; hydrogenchloride / ethanol / 20 °C

With hydrogenchloride; tin(II) chloride dihdyrate; water; potassium carbonate; In methanol; ethanol;

Reference yield: 76.0%

5-(2-chloro-4-pyrimidinyl)-4-(3-((phenylmethyl)oxy)phenyl)-1,3-thiazol-2-amine (1160624-46-3) + 3-(5-oxazolyl)-benzenamine (157837-31-5) → 4-(2-amino-4-(3-((phenylmethyl)oxy)phenyl)-1,3-thiazol-5-yl)-N-(3-(1,3-oxazol-5-yl)phenyl)-2-pyrimidinamine (1160624-44-1)

Guidance literature:

5-(2-chloro-4-pyrimidinyl)-4-(3-((phenylmethyl)oxy)phenyl)-1,3-thiazol-2-amine; 3-(5-oxazolyl)-benzenamine; With hydrogenchloride; In N,N-dimethyl acetamide; water; isopropyl alcohol; at 70 ℃; for 48h;

With water; sodium hydrogencarbonate; In N,N-dimethyl acetamide; isopropyl alcohol;

upstream raw materials:

5-(3-nitro-phenyl)-oxazole

3-nitro-benzaldehyde

Downstream raw materials:

intermediate 41

compound 115

compound 122

4-nitro-N-(3-oxazol-5-yl-phenyl)-benzenesulfonamide