2-Fluoroformycin

Base Information

• Chemical Name: 2-Fluoroformycin
• CAS No.: 97782-08-6
• Molecular Formula: C₁₀H₁₂FN₅O₄
• Molecular Weight: 285.235
• DSSTox Substance ID: DTXSID30913654
• Wikidata: Q82884311
• ChEMBL ID: CHEMBL3144006
• Mol file: 97782-08-6.mol

Synonyms:2-fluoroformycin;7-amino-5-fluoro-3-(beta-ribofuranosyl)pyrazolo(4,3-d)pyrimidine

Chemical Property of 2-Fluoroformycin

Chemical Property:

• Vapor Pressure: 9.59E-15mmHg at 25°C
• Melting Point: 300 °C
• Boiling Point: 589.6°Cat760mmHg
• Flash Point: 310.4°C
• PSA: 150.40000
• Density: 1.839g/cm³
• LogP: -1.19060
• XLogP3: -1.8
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 285.08733204
• Heavy Atom Count: 20
• Complexity: 367

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(C1C(C(C(O1)C2=C3C(=NN2)C(=NC(=N3)F)N)O)O)O
• Isomeric SMILES: C([C@@H]1[C@H]([C@H]([C@@H](O1)C2=C3C(=NN2)C(=NC(=N3)F)N)O)O)O

Technology Process of 2-Fluoroformycin

There total 2 articles about 2-Fluoroformycin 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: 19.0%

5,7-diamino-(3-β-D-ribofuranosyl)pyrazolo<4,3-d>pyrimidine (97782-03-1) → 7-amino-5-fluoro-(3-β-D-ribofuranosyl)pyrazolo<4,3-d>pyrimidine (97782-08-6)

Guidance literature:

With pyridine; tert.-butylnitrite; hydrogen fluoride; at -20 ℃; for 2h;

DOI:10.1021/jm00149a033

Reference yield:

5-amino-3-(β-D-ribofuranosyl)-1H-pyrazolo<4,3-d>pyrimidin-7(6H)-one (80206-18-4) → 7-amino-5-fluoro-(3-β-D-ribofuranosyl)pyrazolo<4,3-d>pyrimidine (97782-08-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) acetic anhydride, pyridine, 2.) tetraethylammonium chloride, N,N-dimethylaniline, phosphorus oxychloride, 3.) sat. ammonia in ethanol

2: 19 percent / HF, pyridine, tert-butyl nitrite / 2 h / -20 °C

With pyridine; tert.-butylnitrite; hydrogen fluoride; tetraethylammonium chloride; acetic anhydride; N,N-dimethyl-aniline; ammonia ethyl alcohol; trichlorophosphate;

DOI:10.1021/jm00149a033

upstream raw materials:

5,7-diamino-(3-β-D-ribofuranosyl)pyrazolo<4,3-d>pyrimidine

5-amino-3-(β-D-ribofuranosyl)-1H-pyrazolo<4,3-d>pyrimidin-7(6H)-one

Refernces