3H-Phenoxazin-3-one

Base Information

• Chemical Name: 3H-Phenoxazin-3-one
• CAS No.: 1916-63-8
• Molecular Formula: C12H7 N O2
• Molecular Weight: 197.193
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID20172692
• Nikkaji Number: J362.895G
• Wikidata: Q83042778
• ChEMBL ID: CHEMBL147062
• Mol file: 1916-63-8.mol

Synonyms:phenoxazinone;phenoxazone

Chemical Property of 3H-Phenoxazin-3-one

Chemical Property:

• Vapor Pressure: 0.000235mmHg at 25°C
• Boiling Point: 325.1°Cat760mmHg
• Flash Point: 161.5°C
• PSA: 43.10000
• Density: 1.32g/cm³
• LogP: 2.29280
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 197.047678466
• Heavy Atom Count: 15
• Complexity: 392

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=C3C=CC(=O)C=C3O2

Technology Process of 3H-Phenoxazin-3-one

There total 3 articles about 3H-Phenoxazin-3-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: 5.0%

3-hydroxy-2'-nitrodiphenyl ether (74683-21-9) → 3H-Phenoxazin-3-on (1916-63-8) + resorufin (635-78-9)

Guidance literature:

With sulfuric acid; In acetic acid; for 2h; Heating;

DOI:10.1016/0040-4020(80)80030-5

Reference yield:

2-amino-phenol (95-55-6) + p-benzoquinone (106-51-4) → 2-aminophenoxazin-3-one (1916-59-2) + 3H-Phenoxazin-3-on (1916-63-8) + triphenodioxazine (258-72-0) + 6,6'-Ditriphenodioxazine (109113-75-9)

Guidance literature:

In acetic acid; for 4h; Further byproducts given; Heating;

Reference yield:

1-(3-methoxyphenoxy)-2-nitrobenzene (74683-29-7) → 3H-Phenoxazin-3-on (1916-63-8) + 3-hydroxy-2'-nitrodiphenyl ether (74683-21-9)

Guidance literature:

With aluminium trichloride; In chlorobenzene; for 2h; Heating;

DOI:10.1016/0040-4020(80)80030-5

upstream raw materials:

1-(3-methoxyphenoxy)-2-nitrobenzene

3-hydroxy-2'-nitrodiphenyl ether

2-amino-phenol

p-benzoquinone

Downstream raw materials:

7-phenylsulfanyl-phenoxazin-3-one

1-phenylsulfanyl-phenoxazin-3-one

1,7-bis-phenylsulfanyl-phenoxazin-3-one

2-anilino-3H-phenoxazin-3-one