2H-1,4-Benzoxazin-2-one, 5-hydroxy-3-methyl-

Base Information

• Chemical Name: 2H-1,4-Benzoxazin-2-one, 5-hydroxy-3-methyl-
• CAS No.: 3773-91-9
• Molecular Formula: C9H7NO3
• Molecular Weight: 177.1568
• DSSTox Substance ID: DTXSID10191170
• Nikkaji Number: J67.849J
• Wikidata: Q83063665
• Mol file: 3773-91-9.mol

Synonyms:5-Hydroxy-3-methyl-2H-1,4-benzoxazin-2-one;BRN 0977646;3773-91-9;2H-1,4-BENZOXAZIN-2-ONE, 5-HYDROXY-3-METHYL-;DTXSID10191170;LS-42011

Chemical Property of 2H-1,4-Benzoxazin-2-one, 5-hydroxy-3-methyl-

Chemical Property:

• Vapor Pressure: 2.4E-05mmHg at 25°C
• Boiling Point: 349°C at 760 mmHg
• Flash Point: 164.9°C
• Density: 1.41g/cm³
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 177.042593085
• Heavy Atom Count: 13
• Complexity: 262

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC2=C(C=CC=C2OC1=O)O

Technology Process of 2H-1,4-Benzoxazin-2-one, 5-hydroxy-3-methyl-

There total 1 articles about 2H-1,4-Benzoxazin-2-one, 5-hydroxy-3-methyl- 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-oxo-propionic acid ethyl ester (617-35-6) + 2-aminoresorcinol (3163-15-3) → 5-hydroxy-3-methyl-benzo[1,4]oxazin-2-one (3773-91-9)

Guidance literature:

(heating);

DOI:10.1021/jm00322a006

Reference yield: 95.0%

triethyl borane (97-94-9) + 5-hydroxy-3-methyl-benzo[1,4]oxazin-2-one (3773-91-9) → 3-ethyl-3,4-dihydro-5-hydroxy-3-methyl-2H-1,4-benzoxazin-2-one (828246-28-2)

Guidance literature:

With ytterbium(III) triflate; In tetrahydrofuran; hexane; dichloromethane; at 20 ℃; for 0.0833333h;

DOI:10.1021/jo052518x

Reference yield: 81.0%

Cyclohexyl iodide (626-62-0) + 5-hydroxy-3-methyl-benzo[1,4]oxazin-2-one (3773-91-9) → 3-cyclohexyl-5-hydroxy-3-methyl-3,4-dihydro-benzo[1,4]oxazin-2-one

Guidance literature:

With copper(l) iodide; zinc; In methanol; at 20 ℃; for 0.0833333h;

DOI:10.1055/s-2004-834803

upstream raw materials:

2-oxo-propionic acid ethyl ester

2-aminoresorcinol

Downstream raw materials:

3-ethyl-3,4-dihydro-5-hydroxy-3-methyl-2H-1,4-benzoxazin-2-one

3-tert-butyl-5-hydroxy-3-methyl-3,4-dihydro-benzo[1,4]oxazin-2-one

5-hydroxy-3-isopropyl-3-methyl-3,4-dihydro-benzo[1,4]oxazin-2-one

(S)-3-ethyl-3,4-dihydro-5-hydroxy-3-methyl-2H-1,4-benzoxazin-2-one

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