7-hydroxy-2H-benzo[b][1,4]oxazin-3(4H)-one

Base Information

• Chemical Name: 7-hydroxy-2H-benzo[b][1,4]oxazin-3(4H)-one
• CAS No.: 67193-97-9
• Molecular Formula: C8H7NO3
• Molecular Weight: 165.148
• European Community (EC) Number: 819-672-9
• DSSTox Substance ID: DTXSID60434827
• Wikidata: Q72483270
• Mol file: 67193-97-9.mol

Synonyms:7-hydroxy-2H-benzo[b][1,4]oxazin-3(4H)-one;67193-97-9;7-hydroxy-2H-1,4-benzoxazin-3(4H)-one;7-hydroxy-4H-1,4-benzoxazin-3-one;MFCD11878414;2H-1,4-Benzoxazin-3(4H)-one, 7-hydroxy-;2H-1,4-Benzoxazin-3(4H)-one, 7-hydroxy;SCHEMBL295559;DTXSID60434827;GAHMCUIGTHMIFD-UHFFFAOYSA-N;STL435083;AKOS015948678;AT20434;MB11352;SY286048;AM20040992;CS-0085209;FT-0660811;EN300-1696732;7-hydroxy-3,4-dihydro-2H-1,4-benzoxazin-3-one;A846706

Chemical Property of 7-hydroxy-2H-benzo[b][1,4]oxazin-3(4H)-one

Chemical Property:

• Melting Point: 208-209℃
• PSA: 62.05000
• Density: 1.396
• LogP: 0.80820
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 165.042593085
• Heavy Atom Count: 12
• Complexity: 195

Purity/Quality:

97% ^*data from raw suppliers

7-hydroxy-2H-benzo[b][1,4]oxazin-3(4H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(=O)NC2=C(O1)C=C(C=C2)O

Technology Process of 7-hydroxy-2H-benzo[b][1,4]oxazin-3(4H)-one

There total 13 articles about 7-hydroxy-2H-benzo[b][1,4]oxazin-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: 96.0%

7-benzyloxy-2H-1,4-benzoxazin-3(4H)-one → 7-hydroxy-2H-benzo[b][1,4]oxazin-3(4H)-one (67193-97-9)

Guidance literature:

With hydrogen; acetic acid; palladium on activated charcoal; under 760 Torr; Ambient temperature;

DOI:10.1002/jhet.5570320204

Reference yield: 95.0%

methyl (5-benzyloxy-2-nitrophenoxy)acetate (164471-20-9) → 7-hydroxy-2H-benzo[b][1,4]oxazin-3(4H)-one (67193-97-9)

Guidance literature:

With hydrogen; acetic acid; palladium on activated charcoal; under 760 Torr; Ambient temperature;

DOI:10.1002/jhet.5570320204

Reference yield: 89.0%

7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-benzo[b][1,4]oxazin-3(4H)-one (1219130-57-0) → 7-hydroxy-2H-benzo[b][1,4]oxazin-3(4H)-one (67193-97-9)

Guidance literature:

With water; dihydrogen peroxide; acetic acid; at 20 ℃; for 5h;

DOI:10.1039/c5md00191a

upstream raw materials:

chloro-acetic acid-(2,4-dihydroxy-anilide)

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

methyl (5-benzyloxy-2-nitrophenoxy)acetate

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

Downstream raw materials:

7-hydroxy-3,4-dihydro-2H-1,4-benzoxazine

3,4-dihydro-2H-benzo[b][1,4]oxazin-7-ol hydrochloride

N-cyclohexyl-N-methyl-4-[(2,3-dihydro-3-oxo-1,4-benzoxazin-7-yl)oxy]butyramide

[2-(3,4-Dichloro-benzoylamino)-5-hydroxy-phenoxy]-acetic acid