2-(4,5-Dihydrooxazol-2-yl)aniline

Base Information

• Chemical Name: 2-(4,5-Dihydrooxazol-2-yl)aniline
• CAS No.: 3416-93-1
• Molecular Formula: C9H10N2O
• Molecular Weight: 162.191
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID10443646
• Nikkaji Number: J1.287.570C
• Wikidata: Q82261539
• Mol file: 3416-93-1.mol

Synonyms:2-(4,5-Dihydrooxazol-2-yl)aniline;3416-93-1;2-(4,5-dihydro-1,3-oxazol-2-yl)aniline;2-(o-aminophenyl)oxazoline;2-(2-Oxazoline-2-yl)aniline;SCHEMBL7452092;DTXSID10443646;MFCD18206196;2-(4,5-Dihydro-2-oxazolyl)benzenamine;AS-44520

Chemical Property of 2-(4,5-Dihydrooxazol-2-yl)aniline

Chemical Property:

• Melting Point: 55-56 °C (decomp)
• Boiling Point: 324.8±25.0 °C(Predicted)
• PSA: 47.61000
• Density: 1.26±0.1 g/cm3(Predicted)
• LogP: 1.06240
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 162.079312947
• Heavy Atom Count: 12
• Complexity: 191

Purity/Quality:

95% ^*data from raw suppliers

2-(4,5-Dihydrooxazol-2-yl)aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC(=N1)C2=CC=CC=C2N

Technology Process of 2-(4,5-Dihydrooxazol-2-yl)aniline

There total 45 articles about 2-(4,5-Dihydrooxazol-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: 93.0%

ethanolamine (141-43-5) + anthranilic acid nitrile (1885-29-6) → 2-(4,5-Dihydro-1,3-oxazol-2-yl)aniline (3416-93-1)

Guidance literature:

With sulfur; cobalt(II) nitrate; In neat (no solvent); at 90 ℃; for 0.1h; Time; Microwave irradiation;

DOI:10.1016/j.tet.2013.05.132

Reference yield: 76.5%

isatoic anhydride (118-48-9) + 2-chloroethanamine hydrochloride (870-24-6) → 2-(4,5-Dihydro-1,3-oxazol-2-yl)aniline (3416-93-1)

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide; at 70 - 85 ℃;

DOI:10.1080/00304940709458587

Reference yield: 60.0%

isatoic anhydride (118-48-9) + ethanolamine (141-43-5) → 2-(4,5-Dihydro-1,3-oxazol-2-yl)aniline (3416-93-1) + 2-amino-N-(2-hydroxyethyl)benzamide (49667-81-4)

Guidance literature:

With sodium acetate; In acetic acid; for 4h; Heating;

DOI:10.1081/SCC-100106216

upstream raw materials:

4,5-dihydro-2-(2-nitrophenyl)oxazole

2-amino-N-(2-hydroxyethyl)benzamide

N-[2-(4,5-dihydrooxazol-2-yl)phenyl]-4-methylbenzenesulfonamide

isatoic anhydride

Downstream raw materials:

C₁₈H₁₇N₃O₂

2,4-dimethylbenzoyl chloride

m-anisoyl chloride

4-methoxy-benzoyl chloride