9-Allyl-6-chloro-9H-purin-2-ylamine

Base Information

• Chemical Name: 9-Allyl-6-chloro-9H-purin-2-ylamine
• CAS No.: 144364-01-2
• Molecular Formula: C₈H₈ClN₅
• Molecular Weight: 209.638
• DSSTox Substance ID: DTXSID40576678
• Wikidata: Q82466501
• Mol file: 144364-01-2.mol

Synonyms:144364-01-2;9-ALLYL-6-CHLORO-9H-PURIN-2-YLAMINE;6-chloro-9-prop-2-enylpurin-2-amine;9-Allyl-6-chloro-9H-purin-2-amine;6-Chloro-9-(prop-2-en-1-yl)-9H-purin-2-amine;SCHEMBL2054791;DTXSID40576678

Chemical Property of 9-Allyl-6-chloro-9H-purin-2-ylamine

Chemical Property:

• Boiling Point: 450.5±55.0 °C(Predicted)
• PKA: 2.19±0.10(Predicted)
• PSA: 70.35000
• Density: 1.55±0.1 g/cm3(Predicted)
• LogP: 1.17800
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 209.0468230
• Heavy Atom Count: 14
• Complexity: 224

Purity/Quality:

97% ^*data from raw suppliers

9-ALLYL-6-CHLORO-9H-PURIN-2-AMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCN1C=NC2=C1N=C(N=C2Cl)N

Technology Process of 9-Allyl-6-chloro-9H-purin-2-ylamine

There total 4 articles about 9-Allyl-6-chloro-9H-purin-2-ylamine 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: 72.0%

allyl bromide (106-95-6) + 2-Amino-6-chloropurin (10310-21-1) → N9-allyl-2-amino-6-chloropurine (144364-01-2)

Guidance literature:

2-Amino-6-chloropurin; With potassium carbonate; In N,N-dimethyl-formamide; for 1h; Inert atmosphere;

allyl bromide; In N,N-dimethyl-formamide; at 20 ℃; for 48h; Inert atmosphere;

DOI:10.1039/c3dt52415a

Reference yield: 59.0%

allyl bromide (106-95-6) + 2-Amino-6-chloropurin (10310-21-1) → 7-allyl-2-amino-6-chloropurine (144364-03-4) + N9-allyl-2-amino-6-chloropurine (144364-01-2)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 50 ℃; for 16h;

DOI:10.1016/0040-4020(95)00286-H

Reference yield:

2-Amino-6-chloropurin (10310-21-1) → 7-allyl-2-amino-6-chloropurine (144364-03-4) + N9-allyl-2-amino-6-chloropurine (144364-01-2)

Guidance literature:

With allyl halide; Alkaline conditions;

DOI:10.1002/ejoc.201201455

upstream raw materials:

Allyl acetate

2-Amino-6-chloropurin

allyl bromide

Downstream raw materials:

Acetic acid {acetoxymethyl-[3-(2-benzoylamino-6-chloro-purin-9-yl)-propyl]-methyl-silanyl}-methyl ester

N-{9-[3-(Bis-chloromethyl-methyl-silanyl)-propyl]-6-chloro-9H-purin-2-yl}-benzamide

N-9-allyl-2-(N-benzoylamino)-6-chloropurine

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