7-Ethoxyresorufin

Base Information

• Chemical Name: 7-Ethoxyresorufin
• CAS No.: 5725-91-7
• Molecular Formula: C14H11NO3
• Molecular Weight: 241.246
• UNII: 59AF853SW7
• DSSTox Substance ID: DTXSID90205860
• Nikkaji Number: J246.012B
• Wikidata: Q27116097
• Pharos Ligand ID: 85QFY1CMVSH3
• Metabolomics Workbench ID: 54983
• ChEMBL ID: CHEMBL1080002
• Mol file: 5725-91-7.mol

Synonyms:7-ethoxy-3H-phenoxazin-3-one;7-ethoxyresorufin;ethoxyresorufin

Chemical Property of 7-Ethoxyresorufin

Chemical Property:

• Appearance/Colour: Red Solid
• Vapor Pressure: 2.88E-06mmHg at 25°C
• Melting Point: 223-225 °C(lit.)
• Refractive Index: 1.624
• Boiling Point: 389.3 °C at 760 mmHg
• PKA: 1.43±0.20(Predicted)
• Flash Point: 185.9 °C
• PSA: 52.33000
• Density: 1.29 g/cm³
• LogP: 2.69150
• Storage Temp.: 2-8°C
• Solubility.: DMF: soluble
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 241.07389321
• Heavy Atom Count: 18
• Complexity: 450

Purity/Quality:

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

Resorufin ethyl ether ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC2=C(C=C1)N=C3C=CC(=O)C=C3O2
• Uses: A fluorimetric substrate for cytochrome P450 IAI. Inhibits vasorelaxant responses to acetylcholine Dealkylase substrate for the microfluorimetric analysis of microsomal cytochrome P-450. Resorufin ethyl ether is suitable for the study of dealkylating activity of cytochrome P450 isozymes 1A1 and 1A2, where arylalkyl and alkyl isothiocyanates, and their glutathione, cysteine, and A′-acetylcysteine conjugates are used as inhibitors. It is suitable to study the ethoxyresorufin-O-deethylase (EROD) activity of cytochrome P450 activity (CYP1A1).

Technology Process of 7-Ethoxyresorufin

There total 4 articles about 7-Ethoxyresorufin 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:

O-ethyl resorcinol (621-34-1) → ethoxyresorufin (5725-91-7)

Guidance literature:

With diethyl ether; at 0 ℃;

Reference yield:

recorcinol (108-46-3) → ethoxyresorufin (5725-91-7)

Guidance literature:

Multi-step reaction with 2 steps

1: potash; alcohol

2: diethyl ether; nitrous acid containing nitric acid / 0 °C

With diethyl ether; ethanol; potassium carbonate;

Reference yield:

ethyl iodide (75-03-6) → ethoxyresorufin (5725-91-7)

Guidance literature:

With ethanol;

upstream raw materials:

resorufin

ethyl iodide

O-ethyl resorcinol

recorcinol

Downstream raw materials:

2-anilino-7-ethoxy-phenoxazin-3-one

7-ethoxy-2-p-tolylsulfanyl-phenoxazin-3-one

resorufin