1,7-Dihydro-6H-purine-6-selone

Base Information

• Chemical Name: 1,7-Dihydro-6H-purine-6-selone
• CAS No.: 5270-30-4
• Molecular Formula: C5H4 N4 Se
• Molecular Weight: 199.074
• Hs Code.: 2933990090
• European Community (EC) Number: 226-088-2
• NSC Number: 37629
• DSSTox Substance ID: DTXSID60967145
• Nikkaji Number: J297.968C
• Mol file: 5270-30-4.mol

Synonyms:1,7-Dihydro-6H-purine-6-selone;5270-30-4;NSC 37629;EINECS 226-088-2;Selenohypoxanthine;C5H4N4Se;1H-purine-6(7H)-selenone;6H-Purine-selone,7-dihydro-;SCHEMBL160503;C5-H4-N4-Se;DTXSID60967145;NSC37629;NSC-37629;AKOS006274094;FT-0743451

Chemical Property of 1,7-Dihydro-6H-purine-6-selone

Chemical Property:

• Melting Point: 280-282 °C(Solv: water (7732-18-5))
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 57.36000
• Density: g/cm³
• LogP: 0.09900
• Storage Temp.: −20°C
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 198.95229
• Heavy Atom Count: 10
• Complexity: 131

Purity/Quality:

99%, ^*data from raw suppliers

6-SELENOPURINE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,N
• Hazard Codes: T,N
• Statements: 23/25-33-50/53
• Safety Statements: 20/21-28-45-60-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NC2=C(N1)C(=NC=N2)[Se]

Technology Process of 1,7-Dihydro-6H-purine-6-selone

There total 3 articles about 1,7-Dihydro-6H-purine-6-selone 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: 65.0%

selenourea (630-10-4) + 6-chloro-7H-purine (87-42-3,111055-92-6) → C5H4N4Se (5270-30-4)

Guidance literature:

selenourea; 6-chloro-7H-purine; In ethanol; at 20 ℃; Reflux;

With sodium hydrogencarbonate; at 50 ℃;

With acetic acid; at 20 ℃;

Reference yield:

6-chloro-7H-purine (87-42-3,111055-92-6) → 1,7-dihydro-purine-6-selone (5270-30-4)

Guidance literature:

With ethanol; sodium ethanolate; hydrogen selenide;

DOI:10.1021/ja01601a037

Reference yield:

selenourea (630-10-4) + 6-chloro-7H-purine (87-42-3,111055-92-6) → 1,7-dihydro-purine-6-selone (5270-30-4)

Guidance literature:

With ethanol;

DOI:10.1021/ja01601a037

upstream raw materials:

selenourea

6-chloro-7H-purine

Refernces