2,8-Dichloro-1H-adenine

Base Information

• Chemical Name: 2,8-Dichloro-1H-adenine
• CAS No.: 2914-09-2
• Molecular Formula: C5H3 Cl2 N5
• Molecular Weight: 204.018
• Hs Code.: 2933990090
• European Community (EC) Number: 220-827-2
• DSSTox Substance ID: DTXSID70183394
• Nikkaji Number: J306.836F
• Wikidata: Q83054174
• Mol file: 2914-09-2.mol

Synonyms:2,8-Dichloro-1H-adenine;2914-09-2;2,8-dichloro-1h-purin-6-amine;2,8-dichloro-7H-purin-6-amine;EINECS 220-827-2;2,8-dichloroadenine;SCHEMBL7526936;DTXSID70183394

Chemical Property of 2,8-Dichloro-1H-adenine

Chemical Property:

• Vapor Pressure: 6.14E-06mmHg at 25°C
• Boiling Point: 378.8°Cat760mmHg
• Flash Point: 182.9°C
• PSA: 80.48000
• Density: 1.893g/cm³
• LogP: 1.82310
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 202.9765505
• Heavy Atom Count: 12
• Complexity: 179

Purity/Quality:

99% ^*data from raw suppliers

2,8-dichloro-9H-Purin-6-amine 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C12=C(N=C(N=C1N=C(N2)Cl)Cl)N

Technology Process of 2,8-Dichloro-1H-adenine

There total 2 articles about 2,8-Dichloro-1H-adenine 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:

2,6,8-trichloro-7H-purine (2562-52-9) → 2,8-dichloro-7(9)H-purin-6-ylamine (2914-09-2)

Guidance literature:

With ammonia; water; at 100 ℃;

Reference yield:

2,6-dichloro-7,9-dihydro-purin-8-one (98027-86-2) → 2,8-dichloro-7(9)H-purin-6-ylamine (2914-09-2)

Guidance literature:

Multi-step reaction with 2 steps

1: phosphorus oxychloride / 150 - 155 °C

2: water; ammonia / 100 °C

With ammonia; water; trichlorophosphate;

Reference yield:

2,8-dichloro-7(9)H-purin-6-ylamine (2914-09-2) → isoguanine (3373-53-3)

Guidance literature:

Multi-step reaction with 2 steps

1: palladium/BaSO₄; aq. NaOH solution

2: aqueous HCl

With hydrogenchloride; sodium hydroxide; Pd-BaSO₄;

DOI:10.1021/ja01126a066

upstream raw materials:

2,6,8-trichloro-7H-purine

2,6-dichloro-7,9-dihydro-purin-8-one

Downstream raw materials:

6-Amino-2-chlorpurin

7H-purin-6-ylamine

isoguanine