2,8-Dihydroxyadenine

Base Information

• Chemical Name: 2,8-Dihydroxyadenine
• CAS No.: 30377-37-8
• Molecular Formula: C5H5N5O2
• Molecular Weight: 167.127
• Hs Code.: 2933990090
• European Community (EC) Number: 250-158-1
• UNII: MYE4YC3VKU
• DSSTox Substance ID: DTXSID80184453
• Nikkaji Number: J249.970C
• Wikipedia: 2,8-Dihydroxyadenine
• Wikidata: Q4596812
• Metabolomics Workbench ID: 37235
• Mol file: 30377-37-8.mol

Synonyms:2,8-dihydroxyadenine;6-amino-2,8-dihydroxypurine

Chemical Property of 2,8-Dihydroxyadenine

Chemical Property:

• Vapor Pressure: 1.68E-30mmHg at 25°C
• Refractive Index: 2.156
• Boiling Point: 852.7 °C at 760 mmHg
• PKA: pKa 2.45±0.06(H2O t=37 I=0.1) (Uncertain);8.12±0.05(H2O t=37 I=0.1) (Uncertain)
• Flash Point: 469.5 °C
• PSA: 120.94000
• Density: 2.52 g/cm³
• LogP: -0.07250
• Storage Temp.: Refrigerator
• Solubility.: Aqueous Base (Slightly, Heated)
• Water Solubility.: 2.2mg/L(25 oC)
• XLogP3: -1.9
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 167.04432442
• Heavy Atom Count: 12
• Complexity: 342

Purity/Quality:

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

2,8-Dihydroxyadenine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C12=C(NC(=O)N=C1NC(=O)N2)N
• Uses: 2,8-Dihydroxyadenine is a derivative of adenine which accumulates in 2,8 dihydroxy-adenine urolithiasis.

Technology Process of 2,8-Dihydroxyadenine

There total 3 articles about 2,8-Dihydroxyadenine 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:

phosgene (75-44-5) → 6-amino-1,7-dihydro-3H-purine-2,8-dione (30377-37-8)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/ja01162a067

Reference yield:

→ 6-amino-1,7-dihydro-3H-purine-2,8-dione (30377-37-8)

Guidance literature:

With hydrogenchloride; at 120 - 125 ℃;

Reference yield:

→ 6-amino-1,7-dihydro-3H-purine-2,8-dione (30377-37-8)

Guidance literature:

With hydrogenchloride; at 120 - 125 ℃;

upstream raw materials:

phosgene

Downstream raw materials:

parabanic acid

pyrimidine-2,4,5,6(1H,3H)-tetraone

urea