7-Methoxy-3H-phenoxazin-3-one

Base Information

• Chemical Name: 7-Methoxy-3H-phenoxazin-3-one
• CAS No.: 5725-89-3
• Molecular Formula: C13H9NO3
• Molecular Weight: 227.219
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID80205859
• Nikkaji Number: J246.013K
• Wikidata: Q72506554
• ChEMBL ID: CHEMBL3943621
• Mol file: 5725-89-3.mol

Synonyms:7-methoxy-3H-phenoxazin-3-one;7-methoxyresorufin;methoxy-resorufin ether;methyl resorufin ether

Chemical Property of 7-Methoxy-3H-phenoxazin-3-one

Chemical Property:

• Vapor Pressure: 6.13E-06mmHg at 25°C
• Melting Point: ≥220 °C(lit.)
• Refractive Index: 1.638
• Boiling Point: 378.8 °C at 760 mmHg
• PKA: 1.42±0.20(Predicted)
• Flash Point: 187.3 °C
• PSA: 52.33000
• Density: 1.33 g/cm³
• LogP: 2.30140
• Storage Temp.: 2-8°C
• Solubility.: DMF: soluble
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 227.058243149
• Heavy Atom Count: 17
• Complexity: 436

Purity/Quality:

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

Resorufin methyl ether ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=CC2=C(C=C1)N=C3C=CC(=O)C=C3O2
• Description: Methoxyresorufin is a fluorogenic substrate for the cytochrome P450 (CYP) isoforms CYP1A1 and CYP1A2. Methyoxyresorufin is O-demethylated by CYP1A1/2, releasing resorufin, which displays excitation/emission maxima of 570/580 nm, respectively. The appearance of resorufin fluorescence can be used to quantify CYP1A1/2 activity.
• Uses: Used to differentiate isozymes of cytochrome P-450 Substrate for Cytochrome P-450. METHOXYRESORUFIN is used for various investigations including the differentiatiation of cytochrome P-450 isozymes. Resorufin methyl ether have been used as substrate in the incubation mixture, during the determination of cytochrome P4501A activities such as ethoxyresorufin O-deethylase (EROD) and methoxyresorufin O-demethylase(MROD) in liver microsomes, using high performance liquid chromatography(HPLC).

Technology Process of 7-Methoxy-3H-phenoxazin-3-one

There total 4 articles about 7-Methoxy-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: 98.0%

resorufin (635-78-9) + methyl iodide (74-88-4) → 7-methoxyresorufin (5725-89-3)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 2h;

DOI:10.1021/acs.orglett.1c03192

Reference yield:

→ 7-methoxyresorufin (5725-89-3)

Guidance literature:

With ethanol; zinc; anschl. Autoxydation;

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + resorufin (635-78-9) → 7-methoxyresorufin (5725-89-3)

Guidance literature:

In diethyl ether; ethanol;

DOI:10.1007/BF00905497

upstream raw materials:

diazomethane

resorufin

methyl iodide

Downstream raw materials:

resorufin

Refernces