7H-Purine-7-acetamide, 1,2,3,6-tetrahydro-N-(2-(4-chlorophenoxy)-1-phenylethyl)-1,3-dimethyl-2,6-dioxo-

Base Information

• Chemical Name: 7H-Purine-7-acetamide, 1,2,3,6-tetrahydro-N-(2-(4-chlorophenoxy)-1-phenylethyl)-1,3-dimethyl-2,6-dioxo-
• CAS No.: 131927-01-0
• Molecular Formula: C₂₃H₂₂ClN₅O₄
• Molecular Weight: 467.912
• DSSTox Substance ID: DTXSID60927401
• Mol file: 131927-01-0.mol

Synonyms:BRN 3640322;131927-01-0;7H-Purine-7-acetamide, 1,2,3,6-tetrahydro-N-(2-(4-chlorophenoxy)-1-phenylethyl)-1,3-dimethyl-2,6-dioxo-;7H-Purine-7-acetamide, N-(2-(4-chlorophenoxy)-1-phenylethyl)-1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-;DTXSID60927401;LS-126424;N-[2-(4-Chlorophenoxy)-1-phenylethyl]-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)ethanimidic acid

Chemical Property of 7H-Purine-7-acetamide, 1,2,3,6-tetrahydro-N-(2-(4-chlorophenoxy)-1-phenylethyl)-1,3-dimethyl-2,6-dioxo-

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.39g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 467.1360319
• Heavy Atom Count: 33
• Complexity: 726

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

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)CC(=O)NC(COC3=CC=C(C=C3)Cl)C4=CC=CC=C4

Technology Process of 7H-Purine-7-acetamide, 1,2,3,6-tetrahydro-N-(2-(4-chlorophenoxy)-1-phenylethyl)-1,3-dimethyl-2,6-dioxo-

There total 1 articles about 7H-Purine-7-acetamide, 1,2,3,6-tetrahydro-N-(2-(4-chlorophenoxy)-1-phenylethyl)-1,3-dimethyl-2,6-dioxo- 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: 72.0%

2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetyl chloride (40421-16-7) + 2-(4-Chloro-phenoxy)-1-phenyl-ethylamine; hydrochloride (126104-49-2) → N-[2-(4-Chloro-phenoxy)-1-phenyl-ethyl]-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-acetamide (131927-01-0)

Guidance literature:

With triethylamine; In 1,4-dioxane; for 48h; Ambient temperature;

upstream raw materials:

2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetyl chloride

2-(4-Chloro-phenoxy)-1-phenyl-ethylamine; hydrochloride