9H-Purin-6-amine, 9-butyl-

Base Information

• Chemical Name: 9H-Purin-6-amine, 9-butyl-
• CAS No.: 2715-70-0
• Molecular Formula: C9H13 N5
• Molecular Weight: 191.233
• NSC Number: 19094
• DSSTox Substance ID: DTXSID10181617
• Nikkaji Number: J774.670I
• Wikidata: Q83052238
• ChEMBL ID: CHEMBL449628
• Mol file: 2715-70-0.mol

Synonyms:9-Butyl-9H-purin-6-amine;2715-70-0;9H-Purin-6-amine, 9-butyl-;9-butylpurin-6-amine;9-butyl-9H-purin-6-ylamine;9-Butyl-9H-adenine;CHEMBL449628;NSC 19094;9H-Purin-6-amine, 9-butyl- (9CI);9-butyladenine;NSC19094;Adenine, 9-butyl-;D04YUM;SCHEMBL1074972;DTXSID10181617;CAA71570;BDBM50256951;NSC-19094;AKOS012922662;CCG-356555;9-Butyl-9H-purin-6-amine, AldrichCPR;BS-51314;CS-0323822;F77824;A911273;AF-399/33196023

Chemical Property of 9H-Purin-6-amine, 9-butyl-

Chemical Property:

• Vapor Pressure: 2.33E-06mmHg at 25°C
• Boiling Point: 392.2°C at 760 mmHg
• Flash Point: 191°C
• Density: 1.35g/cm³
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 191.11709544
• Heavy Atom Count: 14
• Complexity: 186

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCN1C=NC2=C(N=CN=C21)N

Technology Process of 9H-Purin-6-amine, 9-butyl-

There total 5 articles about 9H-Purin-6-amine, 9-butyl- 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: 95.0%

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) → 9-butyladenine (2715-70-0)

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; for 16h;

DOI:10.1021/jm051146h

Reference yield: 85.0%

1-bromo-butane (109-65-9) + 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) → 9-butyladenine (2715-70-0)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 12h;

DOI:10.1016/j.tetlet.2007.07.110

Reference yield: 51.0%

1-iodo-butane (542-69-8) + 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) → 9-butyladenine (2715-70-0)

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 50 ℃;

DOI:10.1016/j.tetlet.2008.02.106

upstream raw materials:

9-butyl-6-chloro-9H-purine

1-bromo-butane

adenine

1-iodo-butane

Downstream raw materials:

(8-bromo-9-butyl-9H-purin-6-yl)amine

3-butyl-8-(3-chlorophenyl)-7-nitro-3H-imidazo[2,1-i]purine

3-butyl-8-(4-chlorophenyl)-7-nitro-3H-imidazo[2,1-i]purine

3-butyl-8-(4-fluorophenyl)-7-nitro-3H-imidazo[2,1-i]purine