1,3-dimethyl-8-(2-morpholin-4-ylethylsulfanyl)-6-sulfanylidene-7H-purin-2-one

Base Information

• Chemical Name: 1,3-dimethyl-8-(2-morpholin-4-ylethylsulfanyl)-6-sulfanylidene-7H-purin-2-one
• CAS No.: 6505-99-3
• Molecular Formula: C₁₃H₁₉N₅O₂S₂
• Molecular Weight: 341.458
• NSC Number: 98003
• DSSTox Substance ID: DTXSID10402359
• Wikidata: Q82205756

Synonyms:JA2131;NSC98003;6505-99-3;1,3-dimethyl-8-(2-morpholin-4-ylethylsulfanyl)-6-sulfanylidene-7H-purin-2-one;SCHEMBL24559257;DTXSID10402359;EX-A5812;NSC-98003;HY-137924;CS-0142930

Chemical Property of 1,3-dimethyl-8-(2-morpholin-4-ylethylsulfanyl)-6-sulfanylidene-7H-purin-2-one

Chemical Property:

• Vapor Pressure: 1.11E-12mmHg at 25°C
• Boiling Point: 562.5°C at 760 mmHg
• Flash Point: 294°C
• Density: 1.48g/cm³
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 341.09801721
• Heavy Atom Count: 22
• Complexity: 446

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(C(=S)N(C1=O)C)NC(=N2)SCCN3CCOCC3

Technology Process of 1,3-dimethyl-8-(2-morpholin-4-ylethylsulfanyl)-6-sulfanylidene-7H-purin-2-one

There total 1 articles about 1,3-dimethyl-8-(2-morpholin-4-ylethylsulfanyl)-6-sulfanylidene-7H-purin-2-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:

N-(2-chlorethyl)morpholine (3240-94-6) + 8-Mercapto-1,3-dimethyl-2-oxo-6-thioxo-1,2,3,6-tetrahydro-7H-purin (2006-51-1) → JA2131 (6505-99-3)

Guidance literature:

With ammonium hydroxide; Heating;

DOI:10.1021/jm00322a013

upstream raw materials:

N-(2-chlorethyl)morpholine

8-Mercapto-1,3-dimethyl-2-oxo-6-thioxo-1,2,3,6-tetrahydro-7H-purin

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