9-(2-Bromoethyl)-6-chloro-9H-purin-2-amine

Base Information

• Chemical Name: 9-(2-Bromoethyl)-6-chloro-9H-purin-2-amine
• CAS No.: 214201-64-6
• Molecular Formula: C7H7BrClN5
• Molecular Weight: 276.523
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00572131
• Nikkaji Number: J2.646.594J
• Wikidata: Q82460402
• Mol file: 214201-64-6.mol

Synonyms:9-(2-Bromoethyl)-6-chloro-9H-purin-2-amine;214201-64-6;9-(2-BROMOETHYL)-6-CHLOROPURIN-2-AMINE;SCHEMBL2916205;DTXSID00572131;A924554

Chemical Property of 9-(2-Bromoethyl)-6-chloro-9H-purin-2-amine

Chemical Property:

• Boiling Point: 501.6±60.0 °C(Predicted)
• PKA: 1.87±0.10(Predicted)
• PSA: 70.35000
• Density: 2.09±0.1 g/cm3(Predicted)
• LogP: 1.38690
• Storage Temp.: 2-8°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 274.95734
• Heavy Atom Count: 14
• Complexity: 207

Purity/Quality:

97% ^*data from raw suppliers

9-(2-Bromoethyl)-6-chloro-9H-purin-2-amine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NC2=C(N1CCBr)N=C(N=C2Cl)N

Technology Process of 9-(2-Bromoethyl)-6-chloro-9H-purin-2-amine

There total 4 articles about 9-(2-Bromoethyl)-6-chloro-9H-purin-2-amine 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: 91.0%

ethylene dibromide (106-93-4) → 9-(2-bromoethyl)-6-chloro-9H-purin-2-amine (214201-64-6)

Guidance literature:

2-Amino-6-chloropurin; With potassium carbonate; In N,N-dimethyl-formamide; at 60 - 65 ℃; for 1h;

ethylene dibromide; In N,N-dimethyl-formamide; for 24h; Reflux;

Reference yield: 81.0%

2-Amino-6-chloropurin (10310-21-1) + 2-bromoethanol (540-51-2) → 9-(2-bromoethyl)-6-chloro-9H-purin-2-amine (214201-64-6)

Guidance literature:

With triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; at 70 ℃; for 12h; Inert atmosphere;

DOI:10.3987/COM-08-11435

Reference yield: 56.0%

ethylene dibromide (106-93-4) + 2-Amino-6-chloropurin (10310-21-1) → 9-(2-bromoethyl)-6-chloro-9H-purin-2-amine (214201-64-6)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 48h;

DOI:10.1016/S0040-4020(98)00670-X

upstream raw materials:

ethylene dibromide

2-Amino-6-chloropurin

2-amino-1,9-dihydro-6H-purin-6-one

2-bromoethanol

Downstream raw materials:

2-amino-6-ethoyxy-9-vinylchloropurine

9-(4-acetoxy-3-acetoxymethylbutyl)-2-aminopurine

6-deoxypenciclovir

9-<4-acetoxy-3-(acetoxymethyl)butyl>-2-amino-6-chloro-9H-purine