6-n-Hexylaminopurine

Base Information

• Chemical Name: 6-n-Hexylaminopurine
• CAS No.: 14333-96-1
• Molecular Formula: C11H17 N5
• Molecular Weight: 219.289
• Hs Code.: 2933990090
• European Community (EC) Number: 238-282-4
• DSSTox Substance ID: DTXSID90876574
• Nikkaji Number: J102.711E
• Wikidata: Q82858229
• ChEMBL ID: CHEMBL449217
• Mol file: 14333-96-1.mol

Synonyms:6-n-Hexylaminopurine;14333-96-1;N-hexyl-7H-purin-6-amine;N6-Hexylaminopurine;n-Hexyl-9H-purin-6-amine;Adenine, N-hexyl-;N-Hexyl-1H-adenine;CHEMBL449217;1H-Purin-6-amine, N-hexyl-;EINECS 238-282-4;adenine,N6-hexyl;6-Hexylaminopurine;Adenine, N6-hexyl;NERVONICCERAMIDE;6-Hexylamino-9H-purine;n-Hexyl-9H-purin-6-amine #;SCHEMBL5066424;DTXSID90876574;BDBM50251961;AKOS008631985;FT-0730104

Chemical Property of 6-n-Hexylaminopurine

Chemical Property:

• Vapor Pressure: 4.32E-09mmHg at 25°C
• Boiling Point: 472.3°Cat760mmHg
• Flash Point: 239.4°C
• PSA: 66.49000
• Density: 1.194g/cm³
• LogP: 2.41810
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 219.14839556
• Heavy Atom Count: 16
• Complexity: 199

Purity/Quality:

98%Min ^*data from raw suppliers

6-n-Hexylaminopurine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCNC1=NC=NC2=C1NC=N2

Technology Process of 6-n-Hexylaminopurine

There total 6 articles about 6-n-Hexylaminopurine 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%

hexan-1-amine (111-26-2) + 6-chloropurine (87-42-3) → N6-n-hexyladenine (14333-96-1)

Guidance literature:

With indium(III) chloride; In acetonitrile; at 120 ℃; for 1.5h; regioselective reaction; Microwave irradiation;

DOI:10.1002/adsc.201400674

Reference yield:

C11H15N5 → N6-n-hexyladenine (14333-96-1)

Guidance literature:

C₁₁H₁₅N₅; With dimethylsulfide borane complex; In tetrahydrofuran; dichloromethane;

With hydrogenchloride; In methanol; water; for 12h;

DOI:10.1080/15257770.2012.742198

Reference yield:

hexanal (66-25-1) + 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) → N6-n-hexyladenine (14333-96-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: acetic acid / methanol / 3 h / Reflux

2.1: dimethylsulfide borane complex / dichloromethane; tetrahydrofuran

2.2: 12 h

With dimethylsulfide borane complex; acetic acid; In tetrahydrofuran; methanol; dichloromethane;

DOI:10.1080/15257770.2012.742198

upstream raw materials:

hexan-1-amine

6-(methylthio)-1H-purine

hexanal

adenine

Downstream raw materials:

9-(2,3-dideoxy-3-fluoro-β-D-erythro-pentofuranosyl)-6-(hexylamino)-9H-purine