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

Base Information

• Chemical Name: 2-(1,3-Benzoxazol-2-yl)aniline
• CAS No.: 29483-74-7
• Molecular Formula: C13H10N2O
• Molecular Weight: 210.235
• DSSTox Substance ID: DTXSID80404764
• Nikkaji Number: J891.187H
• Wikidata: Q82209089
• Mol file: 29483-74-7.mol

Synonyms:2-(2'-aminophenyl)benzoxazole

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

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 210.079312947
• Heavy Atom Count: 16
• Complexity: 246

Purity/Quality:

NLT 98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C2=NC3=CC=CC=C3O2)N

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

There total 12 articles about 2-(1,3-Benzoxazol-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: 83.0%

o-aminobenzaldehyde (529-23-7) + 2-amino-phenol (95-55-6) → 2-(2-aminophenyl)benzoxazole (29483-74-7)

Guidance literature:

With bismuth(III) chloride; In acetonitrile; at 20 ℃; for 0.583333h; Green chemistry;

DOI:10.1007/s10593-016-1814-x

Reference yield: 62.0%

2-Aminobenzyl alcohol (5344-90-1) + 2-amino-phenol (95-55-6) → 2-(2-aminophenyl)benzoxazole (29483-74-7)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; C₆Cl₄O₆Ru₂; In toluene; at 110 ℃; for 24h; Inert atmosphere;

DOI:10.1021/cs5000872

Reference yield: 46.0%

1-(2-Aminophenyl)-1-phenyl-methanonoxim (51674-05-6) → 2-phenylbenzo[d]oxazole (833-50-1) + aniline (62-53-3) + anthranilic acid nitrile (1885-29-6) + 2-(2-aminophenyl)benzoxazole (29483-74-7)

Guidance literature:

at 800 ℃; for 8.33333E-06h; under 0.001 Torr; Further byproducts given;

upstream raw materials:

2-amino-phenol

2-(trifluoromethyl)benzenamine

1-(2-Aminophenyl)-1-phenyl-methanonoxim

isatoic anhydride

Downstream raw materials:

N-(2-(benzo[d]oxazol-2-yl)phenyl)-4-methylbenzenesulfonamide

2-(2-(n-octanesulfonylamino)phenyl)benzoxazole

C₁₅H₁₁ClN₂O₂

2-[2-(t-Boc-L-alanylamino)phenyl]benzoxazole