3-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate

Base Information

• Chemical Name: 3-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate
• CAS No.: 5759-57-9
• Molecular Formula: C16H11NO4
• Molecular Weight: 281.2628
• DSSTox Substance ID: DTXSID50353593
• Wikidata: Q82131272
• ChEMBL ID: CHEMBL1611171
• Mol file: 5759-57-9.mol

Synonyms:5759-57-9;3-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate;STK027832;2,3-Dimethyl-6-(methylthio)-3H-purine;ChemDiv2_003668;Oprea1_453510;Oprea1_678831;MLS000712193;SCHEMBL5921135;CHEMBL1611171;DTXSID50353593;RJZHDQICKKWTNH-UHFFFAOYSA-N;HMS1379G16;HMS2665F09;Acetic acid 3-(4-oxo-4H-benzo[d][1,3]oxazin-2-yl)-phenyl ester;AKOS000642937;CCG-107299;IDI1_002383;SMR000281960;AB00096031-01

Chemical Property of 3-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate

Chemical Property:

• Vapor Pressure: 1.75E-07mmHg at 25°C
• Boiling Point: 426.6°Cat760mmHg
• Flash Point: 195.7°C
• PSA: 69.40000
• Density: 1.3g/cm³
• LogP: 2.78030
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 281.06880783
• Heavy Atom Count: 21
• Complexity: 459

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=O)O2

Technology Process of 3-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate

There total 1 articles about 3-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate 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:

→ 2,3-Dimethyl-6-methylmercapto-purin (5759-57-9)

Guidance literature:

2-Methyl-6-methylmercapto-purin 1. CH3I in DMF, 3 h, Erwaermen 2. (Rk.lsg.), wss. NH3;