9h-Purine-9-propanamine, 6-amino-

Base Information

• Chemical Name: 9h-Purine-9-propanamine, 6-amino-
• CAS No.: 21708-31-6
• Molecular Formula: C8H12 N6
• Molecular Weight: 192.2211
• NSC Number: 144667
• DSSTox Substance ID: DTXSID70944321
• Wikidata: Q82921529
• Mol file: 21708-31-6.mol

Synonyms:9-(3-aminopropyl)-9H-purin-6-amine;21708-31-6;9h-purine-9-propanamine, 6-amino-;9-(3-aminopropyl)purin-6-amine;9-(3-aminopropyl)adenine;9-(3'-aminopropyl)adenine;SCHEMBL67131;KQPXGPRXAFCZHY-UHFFFAOYSA-;DTXSID70944321;KQPXGPRXAFCZHY-UHFFFAOYSA-N;NSC144667;AKOS010941526;NSC-144667;BB 0305778;CS-0283636;EN300-242707;InChI=1/C8H12N6/c9-2-1-3-14-5-13-6-7(10)11-4-12-8(6)14/h4-5H,1-3,9H2,(H2,10,11,12)

Chemical Property of 9h-Purine-9-propanamine, 6-amino-

Chemical Property:

• Vapor Pressure: 4.42E-08mmHg at 25°C
• Boiling Point: 444°Cat760mmHg
• Flash Point: 222.3°C
• Density: 1.56g/cm³
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 192.11234441
• Heavy Atom Count: 14
• Complexity: 187

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NC(=C2C(=N1)N(C=N2)CCCN)N

Technology Process of 9h-Purine-9-propanamine, 6-amino-

There total 5 articles about 9h-Purine-9-propanamine, 6-amino- 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: 83.0%

9-(3-azidopropyl)adenine (675608-70-5) → 3-(adenine-9-yl)propylamine (21708-31-6)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; for 22h; under 760 Torr;

DOI:10.1002/ejic.200300037

Reference yield: 52.0%

3-bromopropylamine tert-butylcarbamate (83948-53-2) + 7H-purin-6-ylamine (73-24-5,71660-29-2,71660-30-5) → 3-(adenine-9-yl)propylamine (21708-31-6)

Guidance literature:

7H-purin-6-ylamine; With sodium hydride; In N,N-dimethyl-formamide; for 1h; Inert atmosphere;

3-bromopropylamine tert-butylcarbamate; In N,N-dimethyl-formamide; at 20 ℃; for 48h;

With hydrogenchloride; In methanol;

Reference yield:

adenine (66224-66-6,66224-67-7,66224-68-8,66224-69-9,134434-48-3,134434-49-4,134454-76-5,134461-75-9) → 3-(adenine-9-yl)propylamine (21708-31-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 80.2 percent / K₂CO₃ / dimethylformamide / 96 h / 20 °C

2: 77.7 percent / NaN₃ / dimethylformamide / 24 h / 80 °C

3: 83 percent / H₂ / Pd/C / methanol / 22 h / 760 Torr

With sodium azide; hydrogen; potassium carbonate; palladium on activated charcoal; In methanol; N,N-dimethyl-formamide;

DOI:10.1002/ejic.200300037

upstream raw materials:

9-(3-azidopropyl)adenine

adenine

9-(3-chloropropyl)-9H-purin-6-amine

3-bromopropylamine tert-butylcarbamate

Downstream raw materials:

6-chloro-2-methoxy-9-<(3-(aden-9-yl)propyl)amino>acridine

[3-(6-Amino-purin-9-yl)-propyl]-(5-benzyloxy-6-methoxy-quinazolin-4-yl)-amine

9-(3-(bis[(diphenylphosphanoyl)methyl]amino)propyl)adenine

9-(2-{bis[(diphenylphosphanoyl)methyl]amino}propyl)adenine