2-(2-Nitrophenyl)Benzoxazole

Base Information

• Chemical Name: 2-(2-Nitrophenyl)Benzoxazole
• CAS No.: 840-37-9
• Molecular Formula: C13H8N2O3
• Molecular Weight: 240.218
• ChEMBL ID: CHEMBL1774677
• DSSTox Substance ID: DTXSID30570024
• Nikkaji Number: J676.419C
• Wikidata: Q82457316
• Mol file: 840-37-9.mol

Synonyms:2-(2-Nitrophenyl)Benzoxazole;840-37-9;2-(2-Nitrophenyl)-1,3-benzoxazole;2-(2'-nitrophenyl)benzoxazole;2-(2-nitrophenyl) benzoxazole;SCHEMBL2252128;CHEMBL1774677;DTXSID30570024;NBPVEFIYQAYAJW-UHFFFAOYSA-N

Chemical Property of 2-(2-Nitrophenyl)Benzoxazole

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 240.05349212
• Heavy Atom Count: 18
• Complexity: 318

Purity/Quality:

95% ^*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+](=O)[O-]

Technology Process of 2-(2-Nitrophenyl)Benzoxazole

There total 20 articles about 2-(2-Nitrophenyl)Benzoxazole 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: 99.0%

(E)-N-(2-nitrobenzylidene)-2-hydroxyaniline → 2-(2′-nitrophenyl)-1,3-benzoxazole (840-37-9)

Guidance literature:

With oxygen; In 1,4-dioxane; at 65 ℃; for 24h;

DOI:10.1021/acs.oprd.6b00168

Reference yield: 97.0%

2-phenylbenzo[d]oxazole (833-50-1) → 2-(2′-nitrophenyl)-1,3-benzoxazole (840-37-9)

Guidance literature:

With dipotassium peroxodisulfate; silver(I) nitrite; oxygen; palladium diacetate; at 130 ℃; for 42h; Reagent/catalyst; Solvent; Temperature; regioselective reaction; Catalytic behavior; Mechanism; Sealed tube;

DOI:10.1016/j.tet.2015.10.035

Reference yield: 96.0%

2-amino-phenol (95-55-6) + 2-nitro-benzaldehyde (552-89-6) → 2-(2′-nitrophenyl)-1,3-benzoxazole (840-37-9)

Guidance literature:

With Na₈H[PW₉O₃₄]*7H₂O; In acetonitrile; at 25 ℃; for 6h;

DOI:10.1016/j.apcata.2014.01.017

upstream raw materials:

2-hydroxy-N-(2-nitrobenzylidene)-aniline

N-(2-hydroxyphenyl)-2-nitrobenzamide

benzoxazole

2-Chloronitrobenzene

Downstream raw materials:

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

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

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

2-(2-aminophenyl)benzoxazole