2,6-dichloro-9-(tetrahydrofuran-2-yl)-9H-purine

Base Information

• Chemical Name: 2,6-dichloro-9-(tetrahydrofuran-2-yl)-9H-purine
• CAS No.: 90348-54-2
• Molecular Formula: C₉H₈Cl₂N₄O
• Molecular Weight: 259.095
• NSC Number: 53345
• DSSTox Substance ID: DTXSID70287907
• Nikkaji Number: J2.920.183H

Synonyms:90348-54-2;2,6-dichloro-9-(tetrahydrofuran-2-yl)-9H-purine;2,6-Dichloro-9-(oxolan-2-yl)-9H-purine;2,6-dichloro-9-(oxolan-2-yl)purine;NSC53345;SCHEMBL4151824;DTXSID70287907;MRCRQUGOOQUHKF-UHFFFAOYSA-N;NSC-53345;2,6-dichloro-9-(tetrahydrofuran-2yl)purine;2,6-dichloro-9-(tetrahydrofuran-2-yl) purine

Chemical Property of 2,6-dichloro-9-(tetrahydrofuran-2-yl)-9H-purine

Chemical Property:

• Vapor Pressure: 8.38E-07mmHg at 25°C
• Boiling Point: 406°Cat760mmHg
• Flash Point: 199.4°C
• Density: 1.82g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 258.0075163
• Heavy Atom Count: 16
• Complexity: 270

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(OC1)N2C=NC3=C2N=C(N=C3Cl)Cl

Technology Process of 2,6-dichloro-9-(tetrahydrofuran-2-yl)-9H-purine

There total 3 articles about 2,6-dichloro-9-(tetrahydrofuran-2-yl)-9H-purine 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: 99.0%

tetrahydrofuran (109-99-9,24979-97-3,77392-70-2) + 2,6 dichloropurine (5451-40-1) → 2,6-dichloro-9-(tetrahydro-2H-pyran-2-yl)-9H-purine (90348-54-2)

Guidance literature:

With Umemoto's reagent; In dichloromethane; at 20 ℃; for 12h; Reagent/catalyst; Solvent; regioselective reaction; Molecular sieve; Irradiation;

DOI:10.1016/j.cclet.2017.08.005

Reference yield: 98.0%

2,3-dihydro-2H-furan (1191-99-7,75454-45-4) + 2,6 dichloropurine (5451-40-1) → 2,6-dichloro-9-(tetrahydro-2H-pyran-2-yl)-9H-purine (90348-54-2)

Guidance literature:

With trifluoroacetic acid; In ethyl acetate; at 20 ℃; for 2h; Inert atmosphere;

Reference yield:

→ 2,6-dichloro-9-(tetrahydro-2H-pyran-2-yl)-9H-purine (90348-54-2)

Guidance literature:

2,6-Dichlor-purin, 2,3-Dihydro-furan, p-Toluolsulfonsaeure;

DOI:10.1021/jm00341a002

upstream raw materials:

2,3-dihydro-2H-furan

2,6 dichloropurine

tetrahydrofuran

Downstream raw materials:

6-(N⁴-phenylpiperazin-1-yl)-2-methoxy-9-(2-tetrahydrofuranyl)-9H-purine

6-(N⁴-phenylpiperazin-1-yl)-2-chloro-9-(2-tetrahydrofuranyl)-9H-purine

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