2-Hydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one

Base Information

• Chemical Name: 2-Hydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one
• CAS No.: 17359-53-4
• Molecular Formula: C₉H₉NO₄
• Molecular Weight: 195.175
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID30938408
• Nikkaji Number: J391.975G
• Wikidata: Q82914720
• Metabolomics Workbench ID: 48040
• ChEMBL ID: CHEMBL451316
• Mol file: 17359-53-4.mol

Synonyms:2-hydroxy-7-methoxy-2H-1,4-benzoxazin-3-one

Chemical Property of 2-Hydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one

Chemical Property:

• Vapor Pressure: 9.89E-09mmHg at 25°C
• Melting Point: 194 °C
• Boiling Point: 445.8°Cat760mmHg
• PKA: 10.88±0.20(Predicted)
• Flash Point: 223.4°C
• PSA: 71.28000
• Density: 1.385g/cm³
• LogP: 0.42960
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 195.05315777
• Heavy Atom Count: 14
• Complexity: 233

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C=C1)NC(=O)C(O2)O

Technology Process of 2-Hydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one

There total 10 articles about 2-Hydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-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: 90.0%

7-Methoxy-2-methoxymethoxy-4H-benzo[1,4]oxazin-3-one → 2-hydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one (17359-53-4)

Guidance literature:

With boron trichloride; In dichloromethane;

DOI:10.1080/00032719808006490

Reference yield: 72.0%

7-methoxy-4H-2,3-dioxo-1,4-benzoxazine (81066-48-0) → 2-hydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one (17359-53-4)

Guidance literature:

With diisobutylaluminium hydride; In toluene; at -78 - 0 ℃; for 2h;

DOI:10.1055/s-1993-25936

Reference yield: 70.0%

2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one (15893-52-4,147802-15-1,147802-16-2,588716-65-8) → 2-hydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one (17359-53-4)

Guidance literature:

With samarium diiodide; In tetrahydrofuran; at 20 ℃;

DOI:10.1021/jf0484071

upstream raw materials:

2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one

2,7-Dimethoxy-2H-1,4-benzoxazin-3(4H)-one

7-methoxy-4H-2,3-dioxo-1,4-benzoxazine

ethanethiol

Downstream raw materials:

2-Ethylsulfanyl-2-hydroxy-N-(2-hydroxy-4-methoxy-phenyl)-acetamide

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