Acetic acid, (4-fluorophenoxy)-, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester

Base Information

• Chemical Name: Acetic acid, (4-fluorophenoxy)-, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester
• CAS No.: 54504-79-9
• Molecular Formula: C17H17FN4O5
• Molecular Weight: 376.3391
• DSSTox Substance ID: DTXSID10202917
• Wikidata: Q83076270

Synonyms:ML 1033;BRN 1232725;Acetic acid, (4-fluorophenoxy)-, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester;54504-79-9;C17H17FN4O5;DTXSID10202917;C17-H17-F-N4-O5

Chemical Property of Acetic acid, (4-fluorophenoxy)-, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester

Chemical Property:

• Vapor Pressure: 2.07E-14mmHg at 25°C
• Boiling Point: 601.2°Cat760mmHg
• Flash Point: 317.4°C
• Density: 1.42g/cm³
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 376.11829782
• Heavy Atom Count: 27
• Complexity: 584

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC(=O)COC3=CC=C(C=C3)F

Technology Process of Acetic acid, (4-fluorophenoxy)-, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester

There total 2 articles about Acetic acid, (4-fluorophenoxy)-, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester 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: 79.0%

2-(4-fluorophenoxy)acetyl chloride (405-78-7) + 7-(2-hydroxyethyl)theophylline (519-37-9) → (4-fluoro-phenoxy)-acetic acid 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-ethyl ester (54504-79-9)

Guidance literature:

In xylene; for 2h; Heating;

Reference yield:

→ (4-fluoro-phenoxy)-acetic acid 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-ethyl ester (54504-79-9)

Guidance literature:

7-Hydroxyethyltheophyllin, p-Toluolsulfonsaeure, p-Fluorophenoxyessigsaeure;

upstream raw materials:

2-(4-fluorophenoxy)acetyl chloride

7-(2-hydroxyethyl)theophylline

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 54504-79-9 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)ethyl (4-fluorophenoxy)acetate

Send

Send

Metric Ton KG G Pound L ML

Send

Send