4-Phenyl-1h-2,3-benzoxazine

Base Information

• Chemical Name: 4-Phenyl-1h-2,3-benzoxazine
• CAS No.: 17799-96-1
• Molecular Formula: C14H11NO
• Molecular Weight: 209.247
• NSC Number: 111349
• DSSTox Substance ID: DTXSID30296772
• Nikkaji Number: J1.585.156B
• Wikidata: Q82037525
• ChEMBL ID: CHEMBL2272294
• Mol file: 17799-96-1.mol

Synonyms:4-phenyl-1h-2,3-benzoxazine;17799-96-1;NSC111349;CHEMBL2272294;DTXSID30296772;NSC-111349

Chemical Property of 4-Phenyl-1h-2,3-benzoxazine

Chemical Property:

• Vapor Pressure: 0.000161mmHg at 25°C
• Boiling Point: 341.2°C at 760 mmHg
• Flash Point: 130.6°C
• Density: 1.13g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 209.084063974
• Heavy Atom Count: 16
• Complexity: 268

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=CC=CC=C2C(=NO1)C3=CC=CC=C3

Technology Process of 4-Phenyl-1h-2,3-benzoxazine

There total 5 articles about 4-Phenyl-1h-2,3-benzoxazine 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: 96.0%

phenyl(2-(((propan-2-ylideneamino)oxy)methyl)phenyl) methanone → 4-phenyl-1H-benzo[d][1,2]oxazine (17799-96-1)

Guidance literature:

With hydrogenchloride; In water; at 60 ℃; for 1h;

DOI:10.1039/c8ob01400k

Reference yield: 65.0%

N-benzyloxy benzamide (3532-25-0) → 4-phenyl-1H-benzo[d][1,2]oxazine (17799-96-1)

Guidance literature:

With 2-chloropyridine; trifluoromethylsulfonic anhydride; In dichloromethane; at 23 ℃; for 1h; Schlenk technique; Inert atmosphere;

DOI:10.1002/anie.202103806

Reference yield:

phenyl-[2-(tetrahydro-pyran-2-yloxymethyl)-phenyl]-methanone → 4-phenyl-1H-benzo[d][1,2]oxazine (17799-96-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 97 percent / HONH₂*HCl; pyridine / methanol / Heating

2: 85 percent / diethyl azodicarboxylate; Ph₃P / 4-nitrophenol / tetrahydrofuran / 1 h / 20 °C

With pyridine; hydroxylamine hydrochloride; triphenylphosphine; diethylazodicarboxylate; 4-nitro-phenol; In tetrahydrofuran; methanol; 2: Mitsunobu reaction;

DOI:10.1016/S0040-4039(01)01406-X

upstream raw materials:

[2-(hydroxyimino-phenyl-methyl)-benzyl]-trimethyl-ammonium; iodide

acetone O-benzyloxime

benzaldehyde

N-benzyloxy benzamide

Downstream raw materials:

4-phenyl-3,4-dihydro-1H-benzo[d][1,2]oxazine