6-Fluoropurine

Base Information

• Chemical Name: 6-Fluoropurine
• CAS No.: 1480-89-3
• Molecular Formula: C5H3 F N4
• Molecular Weight: 138.104
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40163865
• Nikkaji Number: J3.134.482D
• Mol file: 1480-89-3.mol

Synonyms:6-fluoropurine

Chemical Property of 6-Fluoropurine

Chemical Property:

• Vapor Pressure: 4.93E-07mmHg at 25°C
• Boiling Point: 424.9°Cat760mmHg
• Flash Point: 210.8°C
• PSA: 54.46000
• Density: 1.61g/cm³
• LogP: 0.49200
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 138.03417427
• Heavy Atom Count: 10
• Complexity: 131

Purity/Quality:

99% ^*data from raw suppliers

6-Fluoro-7H-purine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NC2=C(N1)C(=NC=N2)F

Technology Process of 6-Fluoropurine

There total 3 articles about 6-Fluoropurine 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: 80.0%

N6,N6,N6-trimethyladeninium chloride (13020-83-2) → 6-fluoro-9H-purine (1480-89-3)

Guidance literature:

With tetrabutyl ammonium fluoride; In dimethyl sulfoxide; at 30 ℃; for 336h; Reagent/catalyst; Solvent; Temperature; Time;

DOI:10.3987/COM-12-12583

Reference yield:

6-chloropurine (87-42-3) → 6-fluoro-9H-purine (1480-89-3)

Guidance literature:

With tetrabutyl ammonium fluoride; In dimethyl sulfoxide; at 20 ℃; for 336h;

DOI:10.1002/anie.200504555

Reference yield:

→ 6-fluoro-9H-purine (1480-89-3)

Guidance literature:

Trimethylpurin-6-ylammoniumchlorid(1R=H),KHF2;

DOI:10.1039/j39710003942

upstream raw materials:

6-chloropurine

N⁶,N⁶,N⁶-trimethyladeninium chloride

Downstream raw materials:

9-benzyl-6-fluoro-9H-purine

6-fluoro-9-(2,3-dideoxy-β-D-glycero-pentofuranosyl)-9H-purine

Refernces

• 1、 Okamura, Toshimitsu,Kikuchi, Tatsuya,Fukushi, Kiyoshi,Irie, Toshiaki. "Reactivity of 6-halopurine analogs with glutathione as a radiotracer for assessing function of multidrug resistance-associated protein 1". . p. 7284 - 7288. Retrieved 2009.
• 2、 Sun, Haoran,DiMagno, Stephen G.. "Room-temperature nucleophilic aromatic fluorination: Experimental and theoretical studies". . p. 2720 - 2725. Retrieved 2007/10/03.