4-Phenyl-1H-2,3-benzoxazin-1-one

Base Information

• Chemical Name: 4-Phenyl-1H-2,3-benzoxazin-1-one
• CAS No.: 19298-29-4
• Molecular Formula: C14H9NO2
• Molecular Weight: 223.231
• European Community (EC) Number: 661-663-5
• NSC Number: 96591
• UNII: K59Y1WNW5H
• DSSTox Substance ID: DTXSID00172892
• Wikidata: Q83042965
• ChEMBL ID: CHEMBL2137271
• Mol file: 19298-29-4.mol

Synonyms:4-Phenyl-1H-2,3-benzoxazin-1-one;19298-29-4;4-phenyl-2,3-benzoxazin-1-one;K59Y1WNW5H;NSC96591;NSC 96591;UNII-K59Y1WNW5H;NSC-96591;4-phenylbenzo[d]1,2-oxazin-1-one;1H-2,3-Benzoxazin-1-one, 4-phenyl-;Maybridge1_003158;NCIOpen2_007047;Oprea1_692969;MLS001077250;SCHEMBL7892961;CHEMBL2137271;HMS550H12;DTXSID00172892;HMS2786F11;CCG-54970;MFCD00094745;AKOS000266415;LS-06305;SMR000473033;4-PHENYL-2,3-1H-BENZOXAZIN-1-ONE;SR-01000644025-1;BRD-K42938087-001-08-5

Chemical Property of 4-Phenyl-1H-2,3-benzoxazin-1-one

Chemical Property:

• Vapor Pressure: 5.7E-06mmHg at 25°C
• Boiling Point: 379.8°Cat760mmHg
• Flash Point: 185.6°C
• PSA: 43.10000
• Density: 1.23g/cm³
• LogP: 2.85500
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 223.063328530
• Heavy Atom Count: 17
• Complexity: 331

Purity/Quality:

99% ^*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=NOC(=O)C3=CC=CC=C32

Technology Process of 4-Phenyl-1H-2,3-benzoxazin-1-one

There total 9 articles about 4-Phenyl-1H-2,3-benzoxazin-1-one 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%

2-Benzoylbenzoic acid (85-52-9) → 4-phenyl-1H-benzo[d][1,2]oxazin-1-one (19298-29-4)

Guidance literature:

With hydroxylamine hydrochloride; sodium acetate; In ethanol; for 2h; Heating;

Reference yield: 82.0%

N-[(2-benzoyl)benzoyl]-S-methyl-S-phenylsulfoximine → 4-phenyl-1H-benzo[d][1,2]oxazin-1-one (19298-29-4)

Guidance literature:

With hydroxylamine hydrochloride; triethylamine; In ethanol; at 80 ℃; for 24h;

DOI:10.1002/asia.201901759

Reference yield: 81.0%

Benzophenone oxime (574-66-3) + carbon monoxide (201230-82-2) → 4-phenyl-1H-benzo[d][1,2]oxazin-1-one (19298-29-4)

Guidance literature:

With silver(I) acetate; palladium dichloride; at 100 ℃; Inert atmosphere;

DOI:10.1039/c5cc01661d

upstream raw materials:

2-Benzoylbenzoic acid

2-(hydroxyimino-phenyl-methyl)-benzoic acid

o--benzophenonoxim

Benzophenone oxime

Downstream raw materials:

2-(α-hydroxy-benzhydryl)-benzophenone oxime

N-phenylphthalimide

aniline

benzene-1,2-dicarboxylic acid

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