2-(2-fluorophenyl)-4H-3,1-benzoxazin-4-one

Base Information

• Chemical Name: 2-(2-fluorophenyl)-4H-3,1-benzoxazin-4-one
• CAS No.: 18595-84-1
• Molecular Formula: C14H8FNO2
• Molecular Weight: 241.221
• DSSTox Substance ID: DTXSID80351800
• Nikkaji Number: J1.368.217H
• Wikidata: Q82128527
• ChEMBL ID: CHEMBL161656
• Mol file: 18595-84-1.mol

Synonyms:18595-84-1;2-(2-fluorophenyl)-4H-3,1-benzoxazin-4-one;2-(2-Fluorophenyl)-4H-benzo[d][1,3]oxazin-4-one;2-(2-fluorophenyl)-3,1-benzoxazin-4-one;CHEMBL161656;2-(2-Fluoro-phenyl)-benzo[d][1,3]oxazin-4-one;SR-01000407680;Maybridge1_007311;2-(2-fluorophenyl)benzo[d]1,3-oxazin-4-one;Oprea1_311778;Oprea1_864623;SCHEMBL915734;HMS562E07;DTXSID80351800;UHJQEWLULUOONU-UHFFFAOYSA-N;BDBM50289012;CCG-15752;STK044999;AKOS000514078;CS-0358526;SR-01000407680-1;SR-01000407680-2

Chemical Property of 2-(2-fluorophenyl)-4H-3,1-benzoxazin-4-one

Chemical Property:

• PSA: 43.10000
• LogP: 2.99410
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 241.05390666
• Heavy Atom Count: 18
• Complexity: 369

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC=CC=C3F

Technology Process of 2-(2-fluorophenyl)-4H-3,1-benzoxazin-4-one

There total 13 articles about 2-(2-fluorophenyl)-4H-3,1-benzoxazin-4-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: 89.4%

→ 2-(2-fluorophenyl)-4H-benzo[d][1,3]oxazin-4-one (18595-84-1)

Guidance literature:

With pyridine; at 20 ℃;

Reference yield: 85.0%

anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) + 2-Fluorobenzoyl chloride (393-52-2) → 2-(2-fluorophenyl)-4H-benzo[d][1,3]oxazin-4-one (18595-84-1)

Guidance literature:

With pyridine; at 20 ℃; for 1h;

Reference yield: 79.0%

carbon monoxide (201230-82-2) + (1H-benzo[d][1,2,3]triazol-1-yl)(2-fluorophenyl)methanone → 2-(2-fluorophenyl)-4H-benzo[d][1,3]oxazin-4-one (18595-84-1)

Guidance literature:

With silver trifluoromethanesulfonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; palladium dichloride; In acetonitrile; at 120 ℃; for 16h; under 15001.5 Torr; Inert atmosphere; Autoclave;

DOI:10.1021/acs.orglett.7b03184

upstream raw materials:

anthranilic acid

2-Fluorobenzoyl chloride

N-(o-fluorobenzylidene)anthranilic acid

2-(2-Fluorophenyl)-1H-indole

Downstream raw materials:

2-(2-fluorobenzoylamino)benzoic acid

2-(2,6-difluorophenyl)-4H-benzo[d](1,3)oxazin-4-one